3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

C15H21F2NO2 — CID 106132403

IUPAC3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H21F2NO2/c16-11-4-5-14(17)13(7-11)15(20)9-18-8-10-2-1-3-12(19)6-10/h4-5,7,10,12,15,18-20H,1-3,6,8-9H2
InChIKeyUIYUOIQEWPGPSB-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.14
Rot. Bonds5

About 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106132403) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
PubChem CID106132403
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C15H21F2NO2/c16-11-4-5-14(17)13(7-11)15(20)9-18-8-10-2-1-3-12(19)6-10/h4-5,7,10,12,15,18-20H,1-3,6,8-9H2
InChIKeyUIYUOIQEWPGPSB-UHFFFAOYSA-N
XLogP2.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132747
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-(2,5-difluorophenyl)ethanol
CID 60976055
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133375
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
3-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclobutan-1-ol
CID 66006149
1-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65109009
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111503713
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (CID 106132403) is 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CNCC(O)c2cc(F)ccc2F)C1.
What is the InChIKey of 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is UIYUOIQEWPGPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c16-11-4-5-14(17)13(7-11)15(20)9-18-8-10-2-1-3-12(19)6-10/h4-5,7,10,12,15,18-20H,1-3,6,8-9H2.
What are the key properties of 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 285.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).