4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol

C14H21NO2 — CID 22146616

IUPAC4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCC(N)CC2C)c1
InChIInChI=1S/C14H21NO2/c1-10-8-12(15)6-7-14(10,16)11-4-3-5-13(9-11)17-2/h3-5,9-10,12,16H,6-8,15H2,1-2H3
InChIKeyROXDNNFDAJZDIT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds2

About 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol

4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol (PubChem CID 22146616) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol
PubChem CID22146616
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCC(N)CC2C)c1
InChIInChI=1S/C14H21NO2/c1-10-8-12(15)6-7-14(10,16)11-4-3-5-13(9-11)17-2/h3-5,9-10,12,16H,6-8,15H2,1-2H3
InChIKeyROXDNNFDAJZDIT-UHFFFAOYSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
CID 57265905
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
[(1S,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium
CID 7083191
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 12938005
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium iodide
CID 163331114
1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
CID 22016064
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol?
The IUPAC name of 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol (CID 22146616) is 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol is COc1cccc(C2(O)CCC(N)CC2C)c1.
What is the InChIKey of 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol?
The InChIKey is ROXDNNFDAJZDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-8-12(15)6-7-14(10,16)11-4-3-5-13(9-11)17-2/h3-5,9-10,12,16H,6-8,15H2,1-2H3.
What are the key properties of 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol?
4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methoxyphenyl)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 22146616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).