1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol

C16H23F2NO2 — CID 62552347

IUPAC1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol
SMILESCC1CCC(CO)(NCC(O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H23F2NO2/c1-11-4-6-16(10-20,7-5-11)19-9-15(21)12-2-3-13(17)14(18)8-12/h2-3,8,11,15,19-21H,4-7,9-10H2,1H3
InChIKeyZXDLVDFUNWKCNK-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.53
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol

1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol (PubChem CID 62552347) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol
PubChem CID62552347
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol
SMILESCC1CCC(CO)(NCC(O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H23F2NO2/c1-11-4-6-16(10-20,7-5-11)19-9-15(21)12-2-3-13(17)14(18)8-12/h2-3,8,11,15,19-21H,4-7,9-10H2,1H3
InChIKeyZXDLVDFUNWKCNK-UHFFFAOYSA-N
XLogP2.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol with MolForge

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Related Compounds

4-[1-hydroxy-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethyl]benzonitrile
CID 62551133
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
CID 81134310
[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
CID 62527967
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 63900670
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol
CID 114756441
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
CID 62551321

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol (CID 62552347) is 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol is CC1CCC(CO)(NCC(O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol?
The InChIKey is ZXDLVDFUNWKCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-11-4-6-16(10-20,7-5-11)19-9-15(21)12-2-3-13(17)14(18)8-12/h2-3,8,11,15,19-21H,4-7,9-10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol?
1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol has a molecular weight of 299.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol is sourced from PubChem (CID 62552347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).