(2-amino-3-methoxyphenyl)-cyclohexylmethanol

C14H21NO2 — CID 105496694

IUPAC(2-amino-3-methoxyphenyl)-cyclohexylmethanol
SMILESCOc1cccc(C(O)C2CCCCC2)c1N
InChIInChI=1S/C14H21NO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h5,8-10,14,16H,2-4,6-7,15H2,1H3
InChIKeyVOGZMRVCXKUVLL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.89
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-cyclohexylmethanol

(2-amino-3-methoxyphenyl)-cyclohexylmethanol (PubChem CID 105496694) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-cyclohexylmethanol.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-cyclohexylmethanol
PubChem CID105496694
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2-amino-3-methoxyphenyl)-cyclohexylmethanol
SMILESCOc1cccc(C(O)C2CCCCC2)c1N
InChIInChI=1S/C14H21NO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h5,8-10,14,16H,2-4,6-7,15H2,1H3
InChIKeyVOGZMRVCXKUVLL-UHFFFAOYSA-N
XLogP2.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol
CID 105499069
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
2-cyclopentyl-2-(2-methoxyphenyl)ethanethioamide
CID 82087243

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-cyclohexylmethanol?
The IUPAC name of (2-amino-3-methoxyphenyl)-cyclohexylmethanol (CID 105496694) is (2-amino-3-methoxyphenyl)-cyclohexylmethanol.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-cyclohexylmethanol?
The canonical SMILES for (2-amino-3-methoxyphenyl)-cyclohexylmethanol is COc1cccc(C(O)C2CCCCC2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-cyclohexylmethanol?
The InChIKey is VOGZMRVCXKUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-12-9-5-8-11(13(12)15)14(16)10-6-3-2-4-7-10/h5,8-10,14,16H,2-4,6-7,15H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-cyclohexylmethanol?
(2-amino-3-methoxyphenyl)-cyclohexylmethanol has a molecular weight of 235.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-cyclohexylmethanol is sourced from PubChem (CID 105496694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).