2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine

C14H22ClN — CID 79441719

IUPAC2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
SMILESCNCC(CCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-11(2)4-5-13(10-16-3)12-6-8-14(15)9-7-12/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeySMWZTVUTHQYXBD-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine

2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine (PubChem CID 79441719) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
PubChem CID79441719
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
SMILESCNCC(CCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN/c1-11(2)4-5-13(10-16-3)12-6-8-14(15)9-7-12/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeySMWZTVUTHQYXBD-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)-4-methoxy-N-methylbutan-1-amine
CID 79441568
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
2-(4-chlorophenyl)-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730148
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
CID 114192541
3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 112508511
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79441273
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine (CID 79441719) is 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine is CNCC(CCC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is SMWZTVUTHQYXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-11(2)4-5-13(10-16-3)12-6-8-14(15)9-7-12/h6-9,11,13,16H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine?
2-(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 2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 79441719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).