4-(4-chlorophenyl)-N-methylpentan-2-amine

C12H18ClN — CID 64719416

IUPAC4-(4-chlorophenyl)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-9(8-10(2)14-3)11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3
InChIKeyFWTORJDKXPZWBI-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.44
Rot. Bonds4

About 4-(4-chlorophenyl)-N-methylpentan-2-amine

4-(4-chlorophenyl)-N-methylpentan-2-amine (PubChem CID 64719416) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-methylpentan-2-amine
PubChem CID64719416
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name4-(4-chlorophenyl)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-9(8-10(2)14-3)11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3
InChIKeyFWTORJDKXPZWBI-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenoxy)-N-methylpentan-2-amine
CID 64720466
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
[(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate
CID 142840615
4-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64720969
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
1-chloro-4-hex-4-yn-2-ylbenzene
CID 83931166
2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine
CID 79299366
tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane
CID 132991778

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methylpentan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-methylpentan-2-amine (CID 64719416) is 4-(4-chlorophenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-methylpentan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-methylpentan-2-amine is CNC(C)CC(C)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-methylpentan-2-amine?
The InChIKey is FWTORJDKXPZWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9(8-10(2)14-3)11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-N-methylpentan-2-amine?
4-(4-chlorophenyl)-N-methylpentan-2-amine has a molecular weight of 211.74 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 64719416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).