N-methyl-1-phenylcyclohexan-1-amine;hydrochloride

C13H20ClN — CID 45259867

IUPACN-methyl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCNC1(c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-14-13(10-6-3-7-11-13)12-8-4-2-5-9-12;/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3;1H
InChIKeyUMUCFPHAEARJAX-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.49
Rot. Bonds2

About N-methyl-1-phenylcyclohexan-1-amine;hydrochloride

N-methyl-1-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 45259867) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-methyl-1-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-phenylcyclohexan-1-amine;hydrochloride
PubChem CID45259867
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCNC1(c2ccccc2)CCCCC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-14-13(10-6-3-7-11-13)12-8-4-2-5-9-12;/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3;1H
InChIKeyUMUCFPHAEARJAX-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-methyl-1-phenylcyclohexan-1-amine;hydrochloride (CID 45259867) is N-methyl-1-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-1-phenylcyclohexan-1-amine;hydrochloride is CNC1(c2ccccc2)CCCCC1.Cl.
What is the InChIKey of N-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is UMUCFPHAEARJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-14-13(10-6-3-7-11-13)12-8-4-2-5-9-12;/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3;1H.
What are the key properties of N-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
N-methyl-1-phenylcyclohexan-1-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).