N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine

C18H22ClN — CID 81352287

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)17-10-12-18(19)13-11-17/h3-7,10-15,20H,8-9H2,1-2H3/t14?,15-/m1/s1
InChIKeyCALOSIBVASJNDO-YSSOQSIOSA-N
MW287.83 g/mol
LogP5.01
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine (PubChem CID 81352287) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
PubChem CID81352287
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)17-10-12-18(19)13-11-17/h3-7,10-15,20H,8-9H2,1-2H3/t14?,15-/m1/s1
InChIKeyCALOSIBVASJNDO-YSSOQSIOSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
CID 81359942
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43769191
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 119129540
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine (CID 81352287) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is CALOSIBVASJNDO-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)17-10-12-18(19)13-11-17/h3-7,10-15,20H,8-9H2,1-2H3/t14?,15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 287.83 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 N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 81352287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).