1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine

C14H22ClN — CID 115845741

IUPAC1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cc(C)cc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-4-5-10(2)8-14(16)12-6-11(3)7-13(15)9-12/h6-7,9-10,14H,4-5,8,16H2,1-3H3
InChIKeyHNGPIPCQECJETB-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine

1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine (PubChem CID 115845741) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine
PubChem CID115845741
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cc(C)cc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-4-5-10(2)8-14(16)12-6-11(3)7-13(15)9-12/h6-7,9-10,14H,4-5,8,16H2,1-3H3
InChIKeyHNGPIPCQECJETB-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)decan-1-amine
CID 115831880
1-(3-chloro-5-methylphenyl)nonan-1-amine
CID 115835851
1-chloro-3-methyl-5-(7-methyloctan-4-yl)benzene
CID 145355744
1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine
CID 114201703
1-(3-chloro-5-methylphenyl)-2-methylbutan-1-amine
CID 105017612
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine
CID 107945539
ethyl (3S)-3-amino-3-(3-chloro-5-methylphenyl)propanoate
CID 140851212
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine (CID 115845741) is 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine is CCCC(C)CC(N)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine?
The InChIKey is HNGPIPCQECJETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-5-10(2)8-14(16)12-6-11(3)7-13(15)9-12/h6-7,9-10,14H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine?
1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine is sourced from PubChem (CID 115845741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).