2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine

C16H23NO — CID 79347200

IUPAC2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine
SMILESC=CCOc1ccc(C=CCNCC(C)C)cc1
InChIInChI=1S/C16H23NO/c1-4-12-18-16-9-7-15(8-10-16)6-5-11-17-13-14(2)3/h4-10,14,17H,1,11-13H2,2-3H3
InChIKeyJSRKCGYPKAUHSD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.51
Rot. Bonds8

About 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine

2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine (PubChem CID 79347200) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine
PubChem CID79347200
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine
SMILESC=CCOc1ccc(C=CCNCC(C)C)cc1
InChIInChI=1S/C16H23NO/c1-4-12-18-16-9-7-15(8-10-16)6-5-11-17-13-14(2)3/h4-10,14,17H,1,11-13H2,2-3H3
InChIKeyJSRKCGYPKAUHSD-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 115525800
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 2613498
3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348223
N-[3-(3,5-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79348417
1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 169476628
N-(2-methylpropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989326
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79346981
N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide
CID 115621888
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine (CID 79347200) is 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine is C=CCOc1ccc(C=CCNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine?
The InChIKey is JSRKCGYPKAUHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-12-18-16-9-7-15(8-10-16)6-5-11-17-13-14(2)3/h4-10,14,17H,1,11-13H2,2-3H3.
What are the key properties of 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine?
2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine is sourced from PubChem (CID 79347200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).