2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine

C90H108N4O4 — CID 160645499

IUPAC2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine
SMILESC=CCOc1ccc(CN(C/C=C/c2ccccc2)C2CC2)cc1.C=CCOc1ccc(CN(C/C=C/c2ccccc2)CC(C)C)cc1.C=CCOc1ccc(CN(C/C=C/c2ccccc2)CCCC)cc1.C=CCOc1ccc(CN(CC=C)C/C=C/c2ccccc2)cc1
InChIInChI=1S/2C23H29NO.2C22H25NO/c1-4-17-25-23-14-12-22(13-15-23)19-24(18-20(2)3)16-8-11-21-9-6-5-7-10-21;1-3-5-17-24(18-9-12-21-10-7-6-8-11-21)20-22-13-15-23(16-14-22)25-19-4-2;1-2-17-24-22-14-10-20(11-15-22)18-23(21-12-13-21)16-6-9-19-7-4-3-5-8-19;1-3-16-23(17-8-11-20-9-6-5-7-10-20)19-21-12-14-22(15-13-21)24-18-4-2/h4-15,20H,1,16-19H2,2-3H3;4,6-16H,2-3,5,17-20H2,1H3;2-11,14-15,21H,1,12-13,16-18H2;3-15H,1-2,16-19H2/b11-8+;12-9+;9-6+;11-8+
InChIKeyRJSRIPYUIBSSBW-BAXNISEQSA-N
MW1309.88 g/mol
LogP20.87
Rot. Bonds40

About 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine

2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine (PubChem CID 160645499) has the molecular formula C90H108N4O4 and a molecular weight of 1309.88 g/mol. Its IUPAC name is 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound Name2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine
PubChem CID160645499
Molecular FormulaC90H108N4O4
Molecular Weight1309.88 g/mol
Exact Mass1308.84
IUPAC Name2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine
SMILESC=CCOc1ccc(CN(C/C=C/c2ccccc2)C2CC2)cc1.C=CCOc1ccc(CN(C/C=C/c2ccccc2)CC(C)C)cc1.C=CCOc1ccc(CN(C/C=C/c2ccccc2)CCCC)cc1.C=CCOc1ccc(CN(CC=C)C/C=C/c2ccccc2)cc1
InChIInChI=1S/2C23H29NO.2C22H25NO/c1-4-17-25-23-14-12-22(13-15-23)19-24(18-20(2)3)16-8-11-21-9-6-5-7-10-21;1-3-5-17-24(18-9-12-21-10-7-6-8-11-21)20-22-13-15-23(16-14-22)25-19-4-2;1-2-17-24-22-14-10-20(11-15-22)18-23(21-12-13-21)16-6-9-19-7-4-3-5-8-19;1-3-16-23(17-8-11-20-9-6-5-7-10-20)19-21-12-14-22(15-13-21)24-18-4-2/h4-15,20H,1,16-19H2,2-3H3;4,6-16H,2-3,5,17-20H2,1H3;2-11,14-15,21H,1,12-13,16-18H2;3-15H,1-2,16-19H2/b11-8+;12-9+;9-6+;11-8+
InChIKeyRJSRIPYUIBSSBW-BAXNISEQSA-N
XLogP20.87
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.88
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine with MolForge

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Related Compounds

4-Benzyl-1-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperidine
CID 10223051
1-[4-(Benzyloxy)benzyl]-3-methylpiperidine
CID 2846132
N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 23575362
N,N'-bis[(4-phenylmethoxyphenyl)methyl]propane-1,3-diamine
CID 57401389
N-(3,3-diphenylprop-2-enyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
CID 73335926
4-(2-Benzhydryloxy-ethyl)-1-(4-methoxy-benzyl)-piperidine
CID 10811807
N,N'-bis[(4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 44458750
N,N'-bis[(4-phenylmethoxyphenyl)methyl]hexane-1,6-diamine
CID 57390887
N,N'-bis[(4-phenylmethoxyphenyl)methyl]octane-1,8-diamine
CID 57390888
N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine
CID 57390889
1-Benzyl-4-[4-(benzyloxy)benzyl]piperazine
CID 2845796
N,N-dibutyl-N'-[(4-pentylphenyl)methyl]-N'-[(4-phenylmethoxyphenyl)methyl]ethane-1,2-diamine
CID 11191765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine (CID 160645499) is 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine is C=CCOc1ccc(CN(C/C=C/c2ccccc2)C2CC2)cc1.C=CCOc1ccc(CN(C/C=C/c2ccccc2)CC(C)C)cc1.C=CCOc1ccc(CN(C/C=C/c2ccccc2)CCCC)cc1.C=CCOc1ccc(CN(CC=C)C/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine?
The InChIKey is RJSRIPYUIBSSBW-BAXNISEQSA-N. The full InChI is InChI=1S/2C23H29NO.2C22H25NO/c1-4-17-25-23-14-12-22(13-15-23)19-24(18-20(2)3)16-8-11-21-9-6-5-7-10-21;1-3-5-17-24(18-9-12-21-10-7-6-8-11-21)20-22-13-15-23(16-14-22)25-19-4-2;1-2-17-24-22-14-10-20(11-15-22)18-23(21-12-13-21)16-6-9-19-7-4-3-5-8-19;1-3-16-23(17-8-11-20-9-6-5-7-10-20)19-21-12-14-22(15-13-21)24-18-4-2/h4-15,20H,1,16-19H2,2-3H3;4,6-16H,2-3,5,17-20H2,1H3;2-11,14-15,21H,1,12-13,16-18H2;3-15H,1-2,16-19H2/b11-8+;12-9+;9-6+;11-8+.
What are the key properties of 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine?
2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine has a molecular weight of 1309.88 g/mol, XLogP of 20.87, 40 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine;(E)-3-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]-N-prop-2-enylprop-2-en-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine;N-[(E)-3-phenylprop-2-enyl]-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 160645499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).