1-(4-chlorophenyl)-N-methylpentan-1-amine

C12H18ClN — CID 11708302

IUPAC1-(4-chlorophenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3
InChIKeyUVPZUOQWAWNQQJ-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.79
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methylpentan-1-amine

1-(4-chlorophenyl)-N-methylpentan-1-amine (PubChem CID 11708302) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methylpentan-1-amine
PubChem CID11708302
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name1-(4-chlorophenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3
InChIKeyUVPZUOQWAWNQQJ-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
1-(4-chloro-3-methylphenyl)-N-methylpentan-1-amine
CID 115832927
N-[1-(4-chlorophenyl)pentyl]acetamide
CID 23652178
1-(3-chloro-4-fluorophenyl)-N-methylnonan-1-amine
CID 63418571
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-methylpentan-1-amine (CID 11708302) is 1-(4-chlorophenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methylpentan-1-amine is CCCCC(NC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methylpentan-1-amine?
The InChIKey is UVPZUOQWAWNQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methylpentan-1-amine?
1-(4-chlorophenyl)-N-methylpentan-1-amine has a molecular weight of 211.74 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 11708302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).