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

C18H22ClN — CID 81353330

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(N[C@H](C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-13(2)18(16-7-5-4-6-8-16)20-14(3)15-9-11-17(19)12-10-15/h4-14,18,20H,1-3H3/t14-,18?/m1/s1
InChIKeyUHZYQXWWVABJFJ-IKJXHCRLSA-N
MW287.83 g/mol
LogP5.39
Rot. Bonds5

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

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 81353330) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID81353330
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(N[C@H](C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-13(2)18(16-7-5-4-6-8-16)20-14(3)15-9-11-17(19)12-10-15/h4-14,18,20H,1-3H3/t14-,18?/m1/s1
InChIKeyUHZYQXWWVABJFJ-IKJXHCRLSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43781909
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762
N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693281
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685384
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
1-chloro-4-(2-methyl-1-phenylpropyl)benzene
CID 22890486

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine (CID 81353330) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(N[C@H](C)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is UHZYQXWWVABJFJ-IKJXHCRLSA-N. The full InChI is InChI=1S/C18H22ClN/c1-13(2)18(16-7-5-4-6-8-16)20-14(3)15-9-11-17(19)12-10-15/h4-14,18,20H,1-3H3/t14-,18?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 5.39, 5 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]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 81353330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).