N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine

C19H24ClN — CID 107875843

IUPACN-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
SMILESCC(NCC(c1ccccc1)C(C)C)c1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-14(2)18(16-9-5-4-6-10-16)13-21-15(3)17-11-7-8-12-19(17)20/h4-12,14-15,18,21H,13H2,1-3H3
InChIKeyCFSTZVUNONTDTQ-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.43
Rot. Bonds6

About N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine

N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine (PubChem CID 107875843) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
PubChem CID107875843
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
SMILESCC(NCC(c1ccccc1)C(C)C)c1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-14(2)18(16-9-5-4-6-10-16)13-21-15(3)17-11-7-8-12-19(17)20/h4-12,14-15,18,21H,13H2,1-3H3
InChIKeyCFSTZVUNONTDTQ-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
CID 81378188
3-[1-(2-chlorophenyl)ethylamino]-2-phenylpropanoic acid
CID 64558637
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81377419
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
CID 115623733
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine (CID 107875843) is N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine is CC(NCC(c1ccccc1)C(C)C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine?
The InChIKey is CFSTZVUNONTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-14(2)18(16-9-5-4-6-10-16)13-21-15(3)17-11-7-8-12-19(17)20/h4-12,14-15,18,21H,13H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine?
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.43, 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]-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107875843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).