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

C23H22ClN — CID 73335835

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESC[C@@H](NCC=C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN/c1-18(21-13-8-14-22(24)17-21)25-16-15-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,17-18,25H,16H2,1H3/t18-/m1/s1
InChIKeyXGBQLFCYDCNVPI-GOSISDBHSA-N
MW347.89 g/mol
LogP6.12
Rot. Bonds6

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

N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (PubChem CID 73335835) has the molecular formula C23H22ClN and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
PubChem CID73335835
Molecular FormulaC23H22ClN
Molecular Weight347.89 g/mol
Exact Mass347.14
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESC[C@@H](NCC=C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN/c1-18(21-13-8-14-22(24)17-21)25-16-15-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,17-18,25H,16H2,1H3/t18-/m1/s1
InChIKeyXGBQLFCYDCNVPI-GOSISDBHSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.89
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methylbut-2-en-1-amine
CID 103578383
(E)-4-[1-(3-chlorophenyl)ethylamino]but-2-enoic acid
CID 103242505
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
N-[(1R)-1-(3-chlorophenyl)ethyl]but-2-yn-1-amine
CID 81372663
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-[1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63420298
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81366439
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81372498
N-[1-(2-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
CID 118539040

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (CID 73335835) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is C[C@@H](NCC=C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The InChIKey is XGBQLFCYDCNVPI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22ClN/c1-18(21-13-8-14-22(24)17-21)25-16-15-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-15,17-18,25H,16H2,1H3/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine has a molecular weight of 347.89 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 73335835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).