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

C15H23NO2 — CID 141346748

IUPAC1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(C)C2(O)CCCCC2)c(N)c1
InChIInChI=1S/C15H23NO2/c1-11(15(17)8-4-3-5-9-15)13-7-6-12(18-2)10-14(13)16/h6-7,10-11,17H,3-5,8-9,16H2,1-2H3
InChIKeyXMUBLJRXCIKVQQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.08
Rot. Bonds3

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

1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol (PubChem CID 141346748) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID141346748
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(C)C2(O)CCCCC2)c(N)c1
InChIInChI=1S/C15H23NO2/c1-11(15(17)8-4-3-5-9-15)13-7-6-12(18-2)10-14(13)16/h6-7,10-11,17H,3-5,8-9,16H2,1-2H3
InChIKeyXMUBLJRXCIKVQQ-UHFFFAOYSA-N
XLogP3.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.08
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-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
CID 103452088
2-(1-iodoethyl)-5-methoxyaniline
CID 170370937
(2-amino-4-methoxyphenyl)-cyclohexylmethanol
CID 105496696
1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 141095478
1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448378
1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 82001257
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline
CID 134890423
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79061364
(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
CID 116762780
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol (CID 141346748) is 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol is COc1ccc(C(C)C2(O)CCCCC2)c(N)c1.
What is the InChIKey of 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is XMUBLJRXCIKVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(15(17)8-4-3-5-9-15)13-7-6-12(18-2)10-14(13)16/h6-7,10-11,17H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol?
1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 141346748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).