(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine

C24H25NO — CID 122225733

IUPAC(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
SMILESCOc1ccccc1CN(C/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO/c1-26-24-17-9-8-16-23(24)20-25(19-22-13-6-3-7-14-22)18-10-15-21-11-4-2-5-12-21/h2-17H,18-20H2,1H3/b15-10+
InChIKeyRSIMHPPWHKHEIX-XNTDXEJSSA-N
MW343.47 g/mol
LogP5.41
Rot. Bonds8

About (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine

(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine (PubChem CID 122225733) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
PubChem CID122225733
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
SMILESCOc1ccccc1CN(C/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO/c1-26-24-17-9-8-16-23(24)20-25(19-22-13-6-3-7-14-22)18-10-15-21-11-4-2-5-12-21/h2-17H,18-20H2,1H3/b15-10+
InChIKeyRSIMHPPWHKHEIX-XNTDXEJSSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
(2E,4E)-N,N-dibenzyl-5-phenylpenta-2,4-dien-1-amine
CID 10783298
(E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17206556
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164224
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 4885028
1-[benzyl-[(2-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 46007693
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 3462468

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine (CID 122225733) is (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine is COc1ccccc1CN(C/C=C/c1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is RSIMHPPWHKHEIX-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H25NO/c1-26-24-17-9-8-16-23(24)20-25(19-22-13-6-3-7-14-22)18-10-15-21-11-4-2-5-12-21/h2-17H,18-20H2,1H3/b15-10+.
What are the key properties of (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine?
(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 343.47 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 122225733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).