(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride

C13H21Cl2N — CID 171210725

IUPAC(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1c(C)cccc1Cl.Cl
InChIInChI=1S/C13H20ClN.ClH/c1-3-4-5-9-12(15)13-10(2)7-6-8-11(13)14;/h6-8,12H,3-5,9,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyLXNQLXLPBWUODB-UTONKHPSSA-N
MW262.22 g/mol
LogP4.65
Rot. Bonds5

About (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride

(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride (PubChem CID 171210725) has the molecular formula C13H21Cl2N and a molecular weight of 262.22 g/mol. Its IUPAC name is (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
PubChem CID171210725
Molecular FormulaC13H21Cl2N
Molecular Weight262.22 g/mol
Exact Mass261.11
IUPAC Name(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1c(C)cccc1Cl.Cl
InChIInChI=1S/C13H20ClN.ClH/c1-3-4-5-9-12(15)13-10(2)7-6-8-11(13)14;/h6-8,12H,3-5,9,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyLXNQLXLPBWUODB-UTONKHPSSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 54.65
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

1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
(1S)-1-(2-chloro-6-methylphenyl)butan-1-amine
CID 131080985
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 55264930
(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
CID 131449010
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride
CID 171209145
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride (CID 171210725) is (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1c(C)cccc1Cl.Cl.
What is the InChIKey of (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride?
The InChIKey is LXNQLXLPBWUODB-UTONKHPSSA-N. The full InChI is InChI=1S/C13H20ClN.ClH/c1-3-4-5-9-12(15)13-10(2)7-6-8-11(13)14;/h6-8,12H,3-5,9,15H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride?
(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride has a molecular weight of 262.22 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171210725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).