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

C14H22ClN — CID 112508511

IUPAC3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
SMILESCNCCC(CC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-11(2)10-13(8-9-16-3)12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyBFQNLGOBPPVIPA-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.08
Rot. Bonds6

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

3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine (PubChem CID 112508511) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
PubChem CID112508511
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
SMILESCNCCC(CC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-11(2)10-13(8-9-16-3)12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyBFQNLGOBPPVIPA-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686
[1-(4-chlorophenyl)-3-methylbutyl]hydrazine
CID 105193198
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
4-[1-(methylamino)pentan-3-yl]aniline
CID 142395580
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730148
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
4-(4-chlorophenyl)-N-methylpentan-2-amine
CID 64719416

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine (CID 112508511) is 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine is CNCCC(CC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is BFQNLGOBPPVIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-11(2)10-13(8-9-16-3)12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine?
3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 112508511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).