trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride

C14H22ClNO — CID 24837203

IUPACtrans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride
SMILESCN[C@@H]1CCCC[C@H]1Oc1ccc(C)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11-7-9-12(10-8-11)16-14-6-4-3-5-13(14)15-2;/h7-10,13-15H,3-6H2,1-2H3;1H/t13-,14-;/m1./s1
InChIKeyYBVGKMNMYQOMLX-DTPOWOMPSA-N
MW255.79 g/mol
LogP3.33
Rot. Bonds3

About trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride

trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride (PubChem CID 24837203) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride
PubChem CID24837203
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Nametrans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride
SMILESCN[C@@H]1CCCC[C@H]1Oc1ccc(C)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11-7-9-12(10-8-11)16-14-6-4-3-5-13(14)15-2;/h7-10,13-15H,3-6H2,1-2H3;1H/t13-,14-;/m1./s1
InChIKeyYBVGKMNMYQOMLX-DTPOWOMPSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride (CID 24837203) is trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride is CN[C@@H]1CCCC[C@H]1Oc1ccc(C)cc1.Cl.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride?
The InChIKey is YBVGKMNMYQOMLX-DTPOWOMPSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-11-7-9-12(10-8-11)16-14-6-4-3-5-13(14)15-2;/h7-10,13-15H,3-6H2,1-2H3;1H/t13-,14-;/m1./s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride?
trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 24837203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).