1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol

C17H26FNO2 — CID 172583870

IUPAC1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1ccc(F)c(OCC2CCCCC2)c1
InChIInChI=1S/C17H26FNO2/c1-19-10-9-16(20)14-7-8-15(18)17(11-14)21-12-13-5-3-2-4-6-13/h7-8,11,13,16,19-20H,2-6,9-10,12H2,1H3
InChIKeyUOLVIKVJNGAYEI-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.43
Rot. Bonds7

About 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol

1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol (PubChem CID 172583870) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol
PubChem CID172583870
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol
SMILESCNCCC(O)c1ccc(F)c(OCC2CCCCC2)c1
InChIInChI=1S/C17H26FNO2/c1-19-10-9-16(20)14-7-8-15(18)17(11-14)21-12-13-5-3-2-4-6-13/h7-8,11,13,16,19-20H,2-6,9-10,12H2,1H3
InChIKeyUOLVIKVJNGAYEI-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 115810701
2-(cyclopropylmethoxy)-4-[1-(2-ethylcyclohexyl)ethyl]-1-fluorobenzene
CID 134559559
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414
methyl 2-(cyclohexylmethoxy)-5-[1-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]benzoate
CID 139950485
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol?
The IUPAC name of 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol (CID 172583870) is 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol is CNCCC(O)c1ccc(F)c(OCC2CCCCC2)c1.
What is the InChIKey of 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol?
The InChIKey is UOLVIKVJNGAYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-19-10-9-16(20)14-7-8-15(18)17(11-14)21-12-13-5-3-2-4-6-13/h7-8,11,13,16,19-20H,2-6,9-10,12H2,1H3.
What are the key properties of 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol?
1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethoxy)-4-fluorophenyl]-3-(methylamino)propan-1-ol is sourced from PubChem (CID 172583870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).