cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol

C14H21NO2 — CID 39345640

IUPACcis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CN[C@@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C14H21NO2/c1-17-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16/h6-9,13-16H,2-5,10H2,1H3/t13-,14+/m1/s1
InChIKeyILJUCVXCEPFGIK-KGLIPLIRSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds4

About cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol

cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 39345640) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID39345640
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CN[C@@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C14H21NO2/c1-17-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16/h6-9,13-16H,2-5,10H2,1H3/t13-,14+/m1/s1
InChIKeyILJUCVXCEPFGIK-KGLIPLIRSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol
CID 173186747
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol (CID 39345640) is cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol is COc1ccc(CN[C@@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is ILJUCVXCEPFGIK-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16/h6-9,13-16H,2-5,10H2,1H3/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol?
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 39345640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).