1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine

C13H20ClN — CID 60919276

IUPAC1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine
SMILESCCC(C)C(C)(N)Cc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN/c1-4-10(2)13(3,15)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9,15H2,1-3H3
InChIKeyDUQQKRLNEDZUTL-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine

1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine (PubChem CID 60919276) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine
PubChem CID60919276
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine
SMILESCCC(C)C(C)(N)Cc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN/c1-4-10(2)13(3,15)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9,15H2,1-3H3
InChIKeyDUQQKRLNEDZUTL-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine
CID 107307745
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-chloro-3-(3-chloro-2-ethylbutyl)benzene
CID 63460008
1-chloro-3-(2,2-dimethoxypropyl)benzene
CID 102600712
1-chloro-3-(2,2,2-tribromoethyl)benzene
CID 54491677
4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81021801
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
1-[2-(bromomethyl)-2-methylpentyl]-3-chlorobenzene
CID 66047818
2-amino-N-[(3-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentanamide
CID 60945851
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine (CID 60919276) is 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine is CCC(C)C(C)(N)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine?
The InChIKey is DUQQKRLNEDZUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-10(2)13(3,15)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine?
1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine has a molecular weight of 225.76 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine is sourced from PubChem (CID 60919276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).