1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine

C18H22ClN — CID 63527888

IUPAC1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCNC(CCc1cccc(C)c1)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-14-6-5-7-15(12-14)10-11-17(20-2)13-16-8-3-4-9-18(16)19/h3-9,12,17,20H,10-11,13H2,1-2H3
InChIKeyZSHPXTWRVGYXML-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.41
Rot. Bonds6

About 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine

1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine (PubChem CID 63527888) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
PubChem CID63527888
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCNC(CCc1cccc(C)c1)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-14-6-5-7-15(12-14)10-11-17(20-2)13-16-8-3-4-9-18(16)19/h3-9,12,17,20H,10-11,13H2,1-2H3
InChIKeyZSHPXTWRVGYXML-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-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105180377
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 105138418
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
CID 105147895
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine (CID 63527888) is 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine is CNC(CCc1cccc(C)c1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The InChIKey is ZSHPXTWRVGYXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14-6-5-7-15(12-14)10-11-17(20-2)13-16-8-3-4-9-18(16)19/h3-9,12,17,20H,10-11,13H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
1-(2-chlorophenyl)-N-methyl-4-(3-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-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63527888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).