1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride

C13H20ClN — CID 45259751

IUPAC1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCc1cccc(C2(N)CCCCC2)c1.Cl
InChIInChI=1S/C13H19N.ClH/c1-11-6-5-7-12(10-11)13(14)8-3-2-4-9-13;/h5-7,10H,2-4,8-9,14H2,1H3;1H
InChIKeyNDJMYAFOWQEFOH-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.53
Rot. Bonds1

About 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride

1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 45259751) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride
PubChem CID45259751
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCc1cccc(C2(N)CCCCC2)c1.Cl
InChIInChI=1S/C13H19N.ClH/c1-11-6-5-7-12(10-11)13(14)8-3-2-4-9-13;/h5-7,10H,2-4,8-9,14H2,1H3;1H
InChIKeyNDJMYAFOWQEFOH-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride (CID 45259751) is 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride is Cc1cccc(C2(N)CCCCC2)c1.Cl.
What is the InChIKey of 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is NDJMYAFOWQEFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-11-6-5-7-12(10-11)13(14)8-3-2-4-9-13;/h5-7,10H,2-4,8-9,14H2,1H3;1H.
What are the key properties of 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride?
1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).