2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine

C13H20ClN — CID 79299366

IUPAC2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-9(2)13(15-4)10(3)11-5-7-12(14)8-6-11/h5-10,13,15H,1-4H3
InChIKeySHNQUYWVEKFJAS-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine

2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine (PubChem CID 79299366) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine
PubChem CID79299366
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN/c1-9(2)13(15-4)10(3)11-5-7-12(14)8-6-11/h5-10,13,15H,1-4H3
InChIKeySHNQUYWVEKFJAS-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine
CID 79298067
2-(4-bromophenyl)-N,4-dimethylpentan-3-amine
CID 79298620
1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
CID 166470462
N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine
CID 79298066
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
4-(4-chlorophenyl)-N-methylpentan-2-amine
CID 64719416
N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine
CID 114282261
1-(4-chlorophenyl)ethaneselenol
CID 139265582
1-(4-chlorophenyl)ethylazanium
CID 18541873
2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
CID 91664037

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine (CID 79299366) is 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine is CNC(C(C)C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine?
The InChIKey is SHNQUYWVEKFJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-9(2)13(15-4)10(3)11-5-7-12(14)8-6-11/h5-10,13,15H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine?
2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine has a molecular weight of 225.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine is sourced from PubChem (CID 79299366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).