4-methyl-1-phenylcyclohexan-1-amine;hydrochloride

C13H20ClN — CID 45259718

IUPAC4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCC1CCC(N)(c2ccccc2)CC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12;/h2-6,11H,7-10,14H2,1H3;1H
InChIKeyLMNDNZDDSXJCAZ-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.47
Rot. Bonds1

About 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride

4-methyl-1-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 45259718) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
PubChem CID45259718
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCC1CCC(N)(c2ccccc2)CC1.Cl
InChIInChI=1S/C13H19N.ClH/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12;/h2-6,11H,7-10,14H2,1H3;1H
InChIKeyLMNDNZDDSXJCAZ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850
4-fluoro-1-phenylcyclohexan-1-amine
CID 83853906
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
1-(3-tert-butylphenyl)-4-methylcyclohexan-1-amine;1-(3-tert-butylphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 157377360
2,4-dimethyl-1-phenylcyclohexan-1-amine
CID 64776190
1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397303
1-[3-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397302
1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine
CID 63407795
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
4-methyl-1-(4-propylphenyl)cycloheptan-1-amine
CID 65081348
1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine
CID 64513866
ethane;1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine
CID 143883025

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride (CID 45259718) is 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride is CC1CCC(N)(c2ccccc2)CC1.Cl.
What is the InChIKey of 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is LMNDNZDDSXJCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12;/h2-6,11H,7-10,14H2,1H3;1H.
What are the key properties of 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).