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

C15H22FNO2 — CID 106132747

IUPAC3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCC(O)c2cccc(F)c2)C1
InChIInChI=1S/C15H22FNO2/c16-13-5-2-4-12(8-13)15(19)10-17-9-11-3-1-6-14(18)7-11/h2,4-5,8,11,14-15,17-19H,1,3,6-7,9-10H2
InChIKeyHKRZGFZMSODDMT-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.00
Rot. Bonds5

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

3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106132747) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
PubChem CID106132747
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCC(O)c2cccc(F)c2)C1
InChIInChI=1S/C15H22FNO2/c16-13-5-2-4-12(8-13)15(19)10-17-9-11-3-1-6-14(18)7-11/h2,4-5,8,11,14-15,17-19H,1,3,6-7,9-10H2
InChIKeyHKRZGFZMSODDMT-UHFFFAOYSA-N
XLogP2.00
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132403
3-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclobutan-1-ol
CID 66006149
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 114515612
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
CID 106547043
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65118485
4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133374
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
CID 138473214
1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol
CID 107412879

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (CID 106132747) is 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CNCC(O)c2cccc(F)c2)C1.
What is the InChIKey of 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is HKRZGFZMSODDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c16-13-5-2-4-12(8-13)15(19)10-17-9-11-3-1-6-14(18)7-11/h2,4-5,8,11,14-15,17-19H,1,3,6-7,9-10H2.
What are the key properties of 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).