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

C18H22ClN — CID 43078952

IUPACN-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NC(C)c1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-14(12-13-16-8-4-3-5-9-16)20-15(2)17-10-6-7-11-18(17)19/h3-11,14-15,20H,12-13H2,1-2H3
InChIKeyLPYCWGXNDRXDRA-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.01
Rot. Bonds6

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

N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine (PubChem CID 43078952) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
PubChem CID43078952
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NC(C)c1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-14(12-13-16-8-4-3-5-9-16)20-15(2)17-10-6-7-11-18(17)19/h3-11,14-15,20H,12-13H2,1-2H3
InChIKeyLPYCWGXNDRXDRA-UHFFFAOYSA-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

N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82775803
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
CID 43081081
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9306812
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
N-[1-(2,5-difluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43110371
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 43504749
N-(4-phenylbutan-2-yl)pent-4-yn-2-amine
CID 115664215

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine (CID 43078952) is N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NC(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is LPYCWGXNDRXDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14(12-13-16-8-4-3-5-9-16)20-15(2)17-10-6-7-11-18(17)19/h3-11,14-15,20H,12-13H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine?
N-[1-(2-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-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 43078952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).