3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol

C13H17ClFNO — CID 102617388

IUPAC3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C13H17ClFNO/c14-12-4-3-10(15)6-9(12)7-13(17)5-1-2-11(16)8-13/h3-4,6,11,17H,1-2,5,7-8,16H2
InChIKeyGCIBOBDUYYEOPX-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.65
Rot. Bonds2

About 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol

3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 102617388) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID102617388
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
SMILESNC1CCCC(O)(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C13H17ClFNO/c14-12-4-3-10(15)6-9(12)7-13(17)5-1-2-11(16)8-13/h3-4,6,11,17H,1-2,5,7-8,16H2
InChIKeyGCIBOBDUYYEOPX-UHFFFAOYSA-N
XLogP2.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
CID 102617389
3-[(2-chloro-5-fluorophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 102622008
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105376474
3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol
CID 105372944
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 102621042
3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
CID 112567366

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol (CID 102617388) is 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol is NC1CCCC(O)(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is GCIBOBDUYYEOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-12-4-3-10(15)6-9(12)7-13(17)5-1-2-11(16)8-13/h3-4,6,11,17H,1-2,5,7-8,16H2.
What are the key properties of 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol?
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 257.74 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 102617388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).