4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

C15H22FNO2 — CID 106133374

IUPAC4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO2/c16-13-5-3-12(4-6-13)15(19)10-17-9-11-1-7-14(18)8-2-11/h3-6,11,14-15,17-19H,1-2,7-10H2
InChIKeyMBEVZDMULYZZLC-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.00
Rot. Bonds5

About 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106133374) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
PubChem CID106133374
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO2/c16-13-5-3-12(4-6-13)15(19)10-17-9-11-1-7-14(18)8-2-11/h3-6,11,14-15,17-19H,1-2,7-10H2
InChIKeyMBEVZDMULYZZLC-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

1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol
CID 107412879
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133375
4-[2-(cyclopropylmethylamino)-1-hydroxyethyl]phenol
CID 130406696
1-(4-fluorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]ethanol
CID 78945331
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133141
3-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclobutan-1-ol
CID 66006149
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132747
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
CID 145365424

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (CID 106133374) is 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is OC1CCC(CNCC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is MBEVZDMULYZZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c16-13-5-3-12(4-6-13)15(19)10-17-9-11-1-7-14(18)8-2-11/h3-6,11,14-15,17-19H,1-2,7-10H2.
What are the key properties of 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
4-[[[2-(4-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 4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).