6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine

C14H22ClN — CID 115485082

IUPAC6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
SMILESCc1cc(Cl)c(CCCCCCN)cc1C
InChIInChI=1S/C14H22ClN/c1-11-9-13(14(15)10-12(11)2)7-5-3-4-6-8-16/h9-10H,3-8,16H2,1-2H3
InChIKeyVIBIQSSVNBMELY-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.02
Rot. Bonds6

About 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine

6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine (PubChem CID 115485082) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine.

Molecular Properties

Compound Name6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
PubChem CID115485082
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
SMILESCc1cc(Cl)c(CCCCCCN)cc1C
InChIInChI=1S/C14H22ClN/c1-11-9-13(14(15)10-12(11)2)7-5-3-4-6-8-16/h9-10H,3-8,16H2,1-2H3
InChIKeyVIBIQSSVNBMELY-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 116924844

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine?
The IUPAC name of 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine (CID 115485082) is 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine.
What is the SMILES notation for 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine?
The canonical SMILES for 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine is Cc1cc(Cl)c(CCCCCCN)cc1C.
What is the InChIKey of 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine?
The InChIKey is VIBIQSSVNBMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-11-9-13(14(15)10-12(11)2)7-5-3-4-6-8-16/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine?
6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine is sourced from PubChem (CID 115485082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).