N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine

C24H25NO — CID 118539040

IUPACN-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccccc1C(C)NCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-19(22-15-9-10-16-24(22)26-2)25-18-17-23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-17,19,25H,18H2,1-2H3
InChIKeyBCYJVFQGHXWFCY-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.48
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine

N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (PubChem CID 118539040) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
PubChem CID118539040
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccccc1C(C)NCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-19(22-15-9-10-16-24(22)26-2)25-18-17-23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-17,19,25H,18H2,1-2H3
InChIKeyBCYJVFQGHXWFCY-UHFFFAOYSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 107900160
(E)-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]but-2-en-1-amine
CID 81429687
N-[1-(2-ethoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 113350530
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
CID 81397712
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
CID 73335835
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (CID 118539040) is N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is COc1ccccc1C(C)NCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The InChIKey is BCYJVFQGHXWFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-19(22-15-9-10-16-24(22)26-2)25-18-17-23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-17,19,25H,18H2,1-2H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine has a molecular weight of 343.47 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 118539040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).