[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine

C23H23N — CID 126569736

IUPAC[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine
SMILESNCc1ccc(C=C(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H23N/c24-18-22-13-11-21(12-14-22)17-23(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,17H,15-16,18,24H2
InChIKeyNNOKLDGDRWXFQR-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.01
Rot. Bonds6

About [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine

[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine (PubChem CID 126569736) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine
PubChem CID126569736
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine
SMILESNCc1ccc(C=C(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H23N/c24-18-22-13-11-21(12-14-22)17-23(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,17H,15-16,18,24H2
InChIKeyNNOKLDGDRWXFQR-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene
CID 141388194
4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
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phenylmethanamine
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phenylmethanamine;trihydrobromide
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phenylmethanamine;titanium(2+)
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phenylmethanamine;dodecahydrobromide
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sodium phenylmethanamine
CID 172793696
[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene
CID 16638609
CID 174688914
CID 174688914
5-benzyl-2-methyl-6-phenylhex-5-en-3-one
CID 76748644
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
ethane;phenylmethanamine;vanadium
CID 158602574

Frequently Asked Questions

What is the IUPAC name of [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine?
The IUPAC name of [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine (CID 126569736) is [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine?
The canonical SMILES for [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine is NCc1ccc(C=C(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine?
The InChIKey is NNOKLDGDRWXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c24-18-22-13-11-21(12-14-22)17-23(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,17H,15-16,18,24H2.
What are the key properties of [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine?
[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine has a molecular weight of 313.44 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine is sourced from PubChem (CID 126569736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).