1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine

C18H22ClN — CID 43694861

IUPAC1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccccc1C(C)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-13-7-4-5-10-18(13)15(3)20-14(2)11-16-8-6-9-17(19)12-16/h4-10,12,14-15,20H,11H2,1-3H3
InChIKeyOTQONAKVJMNOEH-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.93
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine

1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine (PubChem CID 43694861) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
PubChem CID43694861
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccccc1C(C)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-13-7-4-5-10-18(13)15(3)20-14(2)11-16-8-6-9-17(19)12-16/h4-10,12,14-15,20H,11H2,1-3H3
InChIKeyOTQONAKVJMNOEH-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43694717
1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
CID 43694819
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714
1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881795
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine (CID 43694861) is 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine is Cc1ccccc1C(C)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine?
The InChIKey is OTQONAKVJMNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-13-7-4-5-10-18(13)15(3)20-14(2)11-16-8-6-9-17(19)12-16/h4-10,12,14-15,20H,11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine?
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43694861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).