2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol

C17H25F2NO — CID 62406830

IUPAC2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
SMILESCCC(NCC(O)c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-2-16(12-6-4-3-5-7-12)20-11-17(21)13-8-9-14(18)15(19)10-13/h8-10,12,16-17,20-21H,2-7,11H2,1H3
InChIKeyUUQTUGQOVYKRQJ-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.95
Rot. Bonds6

About 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol

2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol (PubChem CID 62406830) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
PubChem CID62406830
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
SMILESCCC(NCC(O)c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-2-16(12-6-4-3-5-7-12)20-11-17(21)13-8-9-14(18)15(19)10-13/h8-10,12,16-17,20-21H,2-7,11H2,1H3
InChIKeyUUQTUGQOVYKRQJ-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
2-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
CID 62406831
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
CID 54938804

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol (CID 62406830) is 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol is CCC(NCC(O)c1ccc(F)c(F)c1)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is UUQTUGQOVYKRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-16(12-6-4-3-5-7-12)20-11-17(21)13-8-9-14(18)15(19)10-13/h8-10,12,16-17,20-21H,2-7,11H2,1H3.
What are the key properties of 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol?
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol has a molecular weight of 297.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 62406830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).