1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine

C18H22ClN — CID 63450778

IUPAC1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
SMILESCCCC(NCc1ccccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-3-6-18(15-9-11-17(19)12-10-15)20-13-16-8-5-4-7-14(16)2/h4-5,7-12,18,20H,3,6,13H2,1-2H3
InChIKeyGEXFUPVZBZAVPG-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.28
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine

1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine (PubChem CID 63450778) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
PubChem CID63450778
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
SMILESCCCC(NCc1ccccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-3-6-18(15-9-11-17(19)12-10-15)20-13-16-8-5-4-7-14(16)2/h4-5,7-12,18,20H,3,6,13H2,1-2H3
InChIKeyGEXFUPVZBZAVPG-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63795497
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
(1R)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]-1-phenylbutan-1-amine
CID 124822705
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine
CID 81169865
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 55117724

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine (CID 63450778) is 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine is CCCC(NCc1ccccc1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine?
The InChIKey is GEXFUPVZBZAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-6-18(15-9-11-17(19)12-10-15)20-13-16-8-5-4-7-14(16)2/h4-5,7-12,18,20H,3,6,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine?
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 63450778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).