trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride

C13H20ClN — CID 45259736

IUPACtrans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESC[C@H]1CCCC[C@]1(N)c1ccccc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12;/h2-4,8-9,11H,5-7,10,14H2,1H3;1H/t11-,13+;/m0./s1
InChIKeyPIRDTJWPFUYGMF-STEACBGWSA-N
MW225.76 g/mol
LogP3.47
Rot. Bonds1

About trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride

trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 45259736) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride
PubChem CID45259736
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Nametrans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESC[C@H]1CCCC[C@]1(N)c1ccccc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12;/h2-4,8-9,11H,5-7,10,14H2,1H3;1H/t11-,13+;/m0./s1
InChIKeyPIRDTJWPFUYGMF-STEACBGWSA-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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride (CID 45259736) is trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride is C[C@H]1CCCC[C@]1(N)c1ccccc1.Cl.
What is the InChIKey of trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is PIRDTJWPFUYGMF-STEACBGWSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12;/h2-4,8-9,11H,5-7,10,14H2,1H3;1H/t11-,13+;/m0./s1.
What are the key properties of trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride?
trans-(1R,2S)-2-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 trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 45259736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).