N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine

C19H24ClN — CID 81361767

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
SMILESCCCCC(N[C@@H](C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-3-4-13-19(16-9-6-5-7-10-16)21-15(2)17-11-8-12-18(20)14-17/h5-12,14-15,19,21H,3-4,13H2,1-2H3/t15-,19?/m0/s1
InChIKeyRVDAQUKGBMVQIV-FUKCDUGKSA-N
MW301.86 g/mol
LogP5.92
Rot. Bonds7

About N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine (PubChem CID 81361767) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
PubChem CID81361767
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
SMILESCCCCC(N[C@@H](C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-3-4-13-19(16-9-6-5-7-10-16)21-15(2)17-11-8-12-18(20)14-17/h5-12,14-15,19,21H,3-4,13H2,1-2H3/t15-,19?/m0/s1
InChIKeyRVDAQUKGBMVQIV-FUKCDUGKSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[1-(3-chlorophenyl)ethyl]nonan-2-amine
CID 43129958
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
CID 10659103
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 81366139

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine (CID 81361767) is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine is CCCCC(N[C@@H](C)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine?
The InChIKey is RVDAQUKGBMVQIV-FUKCDUGKSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-4-13-19(16-9-6-5-7-10-16)21-15(2)17-11-8-12-18(20)14-17/h5-12,14-15,19,21H,3-4,13H2,1-2H3/t15-,19?/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine is sourced from PubChem (CID 81361767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).