1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine

C12H18ClN — CID 60819864

IUPAC1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C12H18ClN/c1-9(2)12(14-3)8-10-5-4-6-11(13)7-10/h4-7,9,12,14H,8H2,1-3H3
InChIKeyMZSPDJIXRAQAIK-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.13
Rot. Bonds4

About 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine

1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine (PubChem CID 60819864) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
PubChem CID60819864
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C12H18ClN/c1-9(2)12(14-3)8-10-5-4-6-11(13)7-10/h4-7,9,12,14H,8H2,1-3H3
InChIKeyMZSPDJIXRAQAIK-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

Analyze 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-ethoxy-N-methylbutan-2-amine
CID 64533188
1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725602
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
1-chloro-N-[(3-chlorophenyl)methyl]-4-methylpentan-3-amine
CID 106353845
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293
[1-(3-chlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247122
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
3-[(3-chlorophenyl)methyl]-4-methylpentan-2-ol
CID 62914608
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine (CID 60819864) is 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine is CNC(Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine?
The InChIKey is MZSPDJIXRAQAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9(2)12(14-3)8-10-5-4-6-11(13)7-10/h4-7,9,12,14H,8H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine?
1-(3-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 1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 60819864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).