3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol

C13H18FNO — CID 80561274

IUPAC3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(F)cc1C1(O)CCCC(N)C1
InChIInChI=1S/C13H18FNO/c1-9-4-5-10(14)7-12(9)13(16)6-2-3-11(15)8-13/h4-5,7,11,16H,2-3,6,8,15H2,1H3
InChIKeyBQMFQWITDADRSY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.22
Rot. Bonds1

About 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol

3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol (PubChem CID 80561274) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol
PubChem CID80561274
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol
SMILESCc1ccc(F)cc1C1(O)CCCC(N)C1
InChIInChI=1S/C13H18FNO/c1-9-4-5-10(14)7-12(9)13(16)6-2-3-11(15)8-13/h4-5,7,11,16H,2-3,6,8,15H2,1H3
InChIKeyBQMFQWITDADRSY-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-methylcyclohexan-1-ol
CID 62788300
3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol
CID 80562436
1-(5-fluoro-2-methylphenyl)-2-methylcyclopentan-1-ol
CID 65049665
3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol
CID 102829342
3-(5-fluoro-2-methylphenyl)piperidin-3-ol
CID 63587351
4-(5-fluoro-2-methylphenyl)azepan-4-ol
CID 103982874
3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105376474
3-(2,5-difluorophenyl)-3-fluorocyclohexan-1-amine
CID 112567534
1-cyclopropyl-3-(5-fluoro-2-methylphenyl)pyrrolidin-3-ol
CID 62975984
3-(5-fluoro-2-methylphenyl)oxolan-3-ol
CID 63331828
1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757984
3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
CID 80562191

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol (CID 80561274) is 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol is Cc1ccc(F)cc1C1(O)CCCC(N)C1.
What is the InChIKey of 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol?
The InChIKey is BQMFQWITDADRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-4-5-10(14)7-12(9)13(16)6-2-3-11(15)8-13/h4-5,7,11,16H,2-3,6,8,15H2,1H3.
What are the key properties of 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol?
3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 80561274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).