(1-aminocyclohexyl)-(3-fluorophenyl)methanol

C13H18FNO — CID 82287146

IUPAC(1-aminocyclohexyl)-(3-fluorophenyl)methanol
SMILESNC1(C(O)c2cccc(F)c2)CCCCC1
InChIInChI=1S/C13H18FNO/c14-11-6-4-5-10(9-11)12(16)13(15)7-2-1-3-8-13/h4-6,9,12,16H,1-3,7-8,15H2
InChIKeyMJHXTNDYATURFE-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.52
Rot. Bonds2

About (1-aminocyclohexyl)-(3-fluorophenyl)methanol

(1-aminocyclohexyl)-(3-fluorophenyl)methanol (PubChem CID 82287146) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(3-fluorophenyl)methanol
PubChem CID82287146
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(1-aminocyclohexyl)-(3-fluorophenyl)methanol
SMILESNC1(C(O)c2cccc(F)c2)CCCCC1
InChIInChI=1S/C13H18FNO/c14-11-6-4-5-10(9-11)12(16)13(15)7-2-1-3-8-13/h4-6,9,12,16H,1-3,7-8,15H2
InChIKeyMJHXTNDYATURFE-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopentyl)-(3-bromophenyl)methanol
CID 82305819
(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105078411
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine
CID 84735247
(1-aminocyclopentyl)-(2-fluorophenyl)methanol
CID 82283865
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol
CID 79138516
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-[fluoro(phenyl)methyl]cyclohexan-1-amine
CID 105460950
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(3-fluorophenyl)methanol?
The IUPAC name of (1-aminocyclohexyl)-(3-fluorophenyl)methanol (CID 82287146) is (1-aminocyclohexyl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (1-aminocyclohexyl)-(3-fluorophenyl)methanol?
The canonical SMILES for (1-aminocyclohexyl)-(3-fluorophenyl)methanol is NC1(C(O)c2cccc(F)c2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(3-fluorophenyl)methanol?
The InChIKey is MJHXTNDYATURFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-11-6-4-5-10(9-11)12(16)13(15)7-2-1-3-8-13/h4-6,9,12,16H,1-3,7-8,15H2.
What are the key properties of (1-aminocyclohexyl)-(3-fluorophenyl)methanol?
(1-aminocyclohexyl)-(3-fluorophenyl)methanol has a molecular weight of 223.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 82287146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).