trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol

C15H22FNO — CID 104954596

IUPACtrans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
SMILESCC(c1ccccc1F)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H22FNO/c1-11(12-7-3-4-8-13(12)16)17(2)14-9-5-6-10-15(14)18/h3-4,7-8,11,14-15,18H,5-6,9-10H2,1-2H3/t11?,14-,15-/m1/s1
InChIKeyFOTOSDVAMUTFCN-PJYWTSEFSA-N
MW251.34 g/mol
LogP3.12
Rot. Bonds3

About trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol (PubChem CID 104954596) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
PubChem CID104954596
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Nametrans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
SMILESCC(c1ccccc1F)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H22FNO/c1-11(12-7-3-4-8-13(12)16)17(2)14-9-5-6-10-15(14)18/h3-4,7-8,11,14-15,18H,5-6,9-10H2,1-2H3/t11?,14-,15-/m1/s1
InChIKeyFOTOSDVAMUTFCN-PJYWTSEFSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]cyclopentane-1-carbonitrile
CID 62978455
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 62979149
3-fluoro-4-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]phenol
CID 107721055
N-[1-(2-fluorophenyl)ethyl]-N-methylcyclohexanecarboximidamide
CID 63181963
1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
CID 19061841
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine
CID 62978796
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 93370008

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol (CID 104954596) is trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol is CC(c1ccccc1F)N(C)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The InChIKey is FOTOSDVAMUTFCN-PJYWTSEFSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(12-7-3-4-8-13(12)16)17(2)14-9-5-6-10-15(14)18/h3-4,7-8,11,14-15,18H,5-6,9-10H2,1-2H3/t11?,14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 104954596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).