1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine

C14H22ClN — CID 62600516

IUPAC1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C14H22ClN/c1-4-11(2)8-14(16-3)10-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3
InChIKeyGPWHBUHZHVVJHN-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.91
Rot. Bonds6

About 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine

1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine (PubChem CID 62600516) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
PubChem CID62600516
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1cccc(Cl)c1)NC
InChIInChI=1S/C14H22ClN/c1-4-11(2)8-14(16-3)10-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3
InChIKeyGPWHBUHZHVVJHN-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105195012
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
CID 63415710
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
1-chloro-3-[2-(chloromethyl)-4-methylhexyl]benzene
CID 66048800
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62234060
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474158
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 64783754
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine (CID 62600516) is 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine is CCC(C)CC(Cc1cccc(Cl)c1)NC.
What is the InChIKey of 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine?
The InChIKey is GPWHBUHZHVVJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-11(2)8-14(16-3)10-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine?
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 62600516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).