4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine

C12H18ClN — CID 60995305

IUPAC4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(C)C(C)Cc1ccccc1Cl
InChIInChI=1S/C12H18ClN/c1-9(10(2)14-3)8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyWMVCYROISGBGGP-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.13
Rot. Bonds4

About 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine

4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine (PubChem CID 60995305) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
PubChem CID60995305
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(C)C(C)Cc1ccccc1Cl
InChIInChI=1S/C12H18ClN/c1-9(10(2)14-3)8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyWMVCYROISGBGGP-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine (CID 60995305) is 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine is CNC(C)C(C)Cc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine?
The InChIKey is WMVCYROISGBGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9(10(2)14-3)8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine?
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine has a molecular weight of 211.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 60995305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).