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

C18H22ClN — CID 62367103

IUPAC1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
SMILESCNC(CCc1ccccc1C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-14-5-3-4-6-16(14)9-12-18(20-2)13-15-7-10-17(19)11-8-15/h3-8,10-11,18,20H,9,12-13H2,1-2H3
InChIKeyMMNRLRXMAZIDRW-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.41
Rot. Bonds6

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

1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine (PubChem CID 62367103) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
PubChem CID62367103
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
SMILESCNC(CCc1ccccc1C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN/c1-14-5-3-4-6-16(14)9-12-18(20-2)13-15-7-10-17(19)11-8-15/h3-8,10-11,18,20H,9,12-13H2,1-2H3
InChIKeyMMNRLRXMAZIDRW-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 103042950
1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 63528467
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
CID 105140044
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025
1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105165085
[4-(2-methylphenyl)-1-pyridin-4-ylbutan-2-yl]hydrazine
CID 105317453
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105080198
1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine
CID 114209914
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine (CID 62367103) is 1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine is CNC(CCc1ccccc1C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine?
The InChIKey is MMNRLRXMAZIDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14-5-3-4-6-16(14)9-12-18(20-2)13-15-7-10-17(19)11-8-15/h3-8,10-11,18,20H,9,12-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine?
1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.41, 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-methyl-4-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 62367103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).