(E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine

C22H27NO — CID 134927041

IUPAC(E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)/C(C)=C/c1ccccc1
InChIInChI=1S/C22H27NO/c1-4-12-22(21-15-10-7-11-16-21)24-23(17-5-2)19(3)18-20-13-8-6-9-14-20/h5-11,13-16,18,22H,2,4,12,17H2,1,3H3/b19-18+
InChIKeyBCTGDMLHDRYLQZ-VHEBQXMUSA-N
MW321.46 g/mol
LogP6.01
Rot. Bonds9

About (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine

(E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine (PubChem CID 134927041) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine
PubChem CID134927041
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)/C(C)=C/c1ccccc1
InChIInChI=1S/C22H27NO/c1-4-12-22(21-15-10-7-11-16-21)24-23(17-5-2)19(3)18-20-13-8-6-9-14-20/h5-11,13-16,18,22H,2,4,12,17H2,1,3H3/b19-18+
InChIKeyBCTGDMLHDRYLQZ-VHEBQXMUSA-N
XLogP6.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-benzhydryloxypropan-1-amine
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N-benzyl-N-phenylmethoxypropan-2-amine
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N-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
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N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine
CID 130439660
4-fluoro-1-phenylmethoxy-2H-pyridine
CID 141198121
N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine
CID 11209688
N-(1,3-Diphenylpropoxy)-N-methylmethanamine
CID 13095117
1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine
CID 85318132
N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
CID 86216645

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine?
The IUPAC name of (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine (CID 134927041) is (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine?
The canonical SMILES for (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine is C=CCN(OC(CCC)c1ccccc1)/C(C)=C/c1ccccc1.
What is the InChIKey of (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine?
The InChIKey is BCTGDMLHDRYLQZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C22H27NO/c1-4-12-22(21-15-10-7-11-16-21)24-23(17-5-2)19(3)18-20-13-8-6-9-14-20/h5-11,13-16,18,22H,2,4,12,17H2,1,3H3/b19-18+.
What are the key properties of (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine?
(E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine has a molecular weight of 321.46 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylprop-1-en-2-amine is sourced from PubChem (CID 134927041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).