(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride

C14H24ClN — CID 171200481

IUPAC(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(C)c(C)c1.Cl
InChIInChI=1S/C14H23N.ClH/c1-4-5-6-7-14(15)13-9-8-11(2)12(3)10-13;/h8-10,14H,4-7,15H2,1-3H3;1H/t14-;/m1./s1
InChIKeyFMFJZBWUDMJCON-PFEQFJNWSA-N
MW241.81 g/mol
LogP4.31
Rot. Bonds5

About (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride

(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride (PubChem CID 171200481) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
PubChem CID171200481
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC Name(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(C)c(C)c1.Cl
InChIInChI=1S/C14H23N.ClH/c1-4-5-6-7-14(15)13-9-8-11(2)12(3)10-13;/h8-10,14H,4-7,15H2,1-3H3;1H/t14-;/m1./s1
InChIKeyFMFJZBWUDMJCON-PFEQFJNWSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 54.31
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

(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
1-(3,4-dimethylphenyl)-2-pentylsulfanylethanamine
CID 107763036
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
(1R)-1-(3,4-dimethylphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200486
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
1-(4-iodophenyl)heptan-1-amine
CID 115833109

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride (CID 171200481) is (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccc(C)c(C)c1.Cl.
What is the InChIKey of (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride?
The InChIKey is FMFJZBWUDMJCON-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H23N.ClH/c1-4-5-6-7-14(15)13-9-8-11(2)12(3)10-13;/h8-10,14H,4-7,15H2,1-3H3;1H/t14-;/m1./s1.
What are the key properties of (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride?
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride has a molecular weight of 241.81 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171200481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).