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

C15H22FNO2 — CID 98264241

IUPAC4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
SMILESCOc1ccc([C@@H](C)NC2CCC(O)CC2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-10(17-11-3-5-12(18)6-4-11)14-8-7-13(19-2)9-15(14)16/h7-12,17-18H,3-6H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyIBOCODXXPZJIMU-VOMCLLRMSA-N
MW267.34 g/mol
LogP2.79
Rot. Bonds4

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

4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol (PubChem CID 98264241) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
PubChem CID98264241
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
SMILESCOc1ccc([C@@H](C)NC2CCC(O)CC2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-10(17-11-3-5-12(18)6-4-11)14-8-7-13(19-2)9-15(14)16/h7-12,17-18H,3-6H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyIBOCODXXPZJIMU-VOMCLLRMSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81343716
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
CID 106594816
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 97322188
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
[2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)propyl]hydrazine
CID 103397832
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol (CID 98264241) is 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol is COc1ccc([C@@H](C)NC2CCC(O)CC2)c(F)c1.
What is the InChIKey of 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol?
The InChIKey is IBOCODXXPZJIMU-VOMCLLRMSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(17-11-3-5-12(18)6-4-11)14-8-7-13(19-2)9-15(14)16/h7-12,17-18H,3-6H2,1-2H3/t10-,11?,12?/m1/s1.
What are the key properties of 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol?
4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 98264241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).