1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol

C14H21NO2 — CID 141095478

IUPAC1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccc(CC2(O)CCCCC2)c(N)c1
InChIInChI=1S/C14H21NO2/c1-17-12-6-5-11(13(15)9-12)10-14(16)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8,10,15H2,1H3
InChIKeyXSVGBCRLAATPPC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds3

About 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol

1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 141095478) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID141095478
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccc(CC2(O)CCCCC2)c(N)c1
InChIInChI=1S/C14H21NO2/c1-17-12-6-5-11(13(15)9-12)10-14(16)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8,10,15H2,1H3
InChIKeyXSVGBCRLAATPPC-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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

1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117328612
1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 141346748
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
4-[(2-bromo-5-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-ol
CID 65328049
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 65327796
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol (CID 141095478) is 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol is COc1ccc(CC2(O)CCCCC2)c(N)c1.
What is the InChIKey of 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is XSVGBCRLAATPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-12-6-5-11(13(15)9-12)10-14(16)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8,10,15H2,1H3.
What are the key properties of 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol?
1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 141095478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).