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

C17H20ClN — CID 62367436

IUPAC1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
SMILESCc1ccccc1CCC(N)Cc1ccccc1Cl
InChIInChI=1S/C17H20ClN/c1-13-6-2-3-7-14(13)10-11-16(19)12-15-8-4-5-9-17(15)18/h2-9,16H,10-12,19H2,1H3
InChIKeyMSWUYSGLSKZOFW-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.15
Rot. Bonds5

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

1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine (PubChem CID 62367436) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
PubChem CID62367436
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
SMILESCc1ccccc1CCC(N)Cc1ccccc1Cl
InChIInChI=1S/C17H20ClN/c1-13-6-2-3-7-14(13)10-11-16(19)12-15-8-4-5-9-17(15)18/h2-9,16H,10-12,19H2,1H3
InChIKeyMSWUYSGLSKZOFW-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
1-(2-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978
1-(2-methylphenyl)heptan-3-amine
CID 105125604
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
CID 65017932
1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
CID 105134771
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
2-amino-4-(2-chlorophenyl)butan-1-ol
CID 56656008
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
1-(2-methylphenyl)oct-7-yn-3-amine
CID 105179672
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine (CID 62367436) is 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine is Cc1ccccc1CCC(N)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine?
The InChIKey is MSWUYSGLSKZOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-6-2-3-7-14(13)10-11-16(19)12-15-8-4-5-9-17(15)18/h2-9,16H,10-12,19H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine?
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 62367436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).