5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine

C13H20ClN — CID 65304680

IUPAC5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
SMILESCNCCC(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-11(9-10-15-2)3-4-12-5-7-13(14)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyMGVFLXHOSWQCGK-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.52
Rot. Bonds6

About 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine

5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine (PubChem CID 65304680) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
PubChem CID65304680
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
SMILESCNCCC(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-11(9-10-15-2)3-4-12-5-7-13(14)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyMGVFLXHOSWQCGK-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
1-(4-bromo-3-methylbutyl)-4-chlorobenzene
CID 64673348
5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
CID 113319296
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
N,3-dimethyl-6-phenylhexan-1-amine
CID 81012432
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
N,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 79018604
1,4-bis[(3R)-3,7-dimethyloctyl]benzene
CID 94774977
5-dibenzofuran-2-yl-N,3-dimethylpentan-1-amine
CID 65304674
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine (CID 65304680) is 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine is CNCCC(C)CCc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is MGVFLXHOSWQCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-11(9-10-15-2)3-4-12-5-7-13(14)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine?
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 65304680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).