2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol

C17H25F2NO — CID 62406831

IUPAC2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
SMILESCCC(NCC(O)c1c(F)cccc1F)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-2-15(12-7-4-3-5-8-12)20-11-16(21)17-13(18)9-6-10-14(17)19/h6,9-10,12,15-16,20-21H,2-5,7-8,11H2,1H3
InChIKeyISRYXLRWMBPYPC-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.95
Rot. Bonds6

About 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol

2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 62406831) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
PubChem CID62406831
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol
SMILESCCC(NCC(O)c1c(F)cccc1F)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-2-15(12-7-4-3-5-8-12)20-11-16(21)17-13(18)9-6-10-14(17)19/h6,9-10,12,15-16,20-21H,2-5,7-8,11H2,1H3
InChIKeyISRYXLRWMBPYPC-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-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
CID 62406830
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine
CID 115728904
1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
CID 63477318
1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
CID 55068971
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
CID 115891595
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64911588

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol (CID 62406831) is 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol is CCC(NCC(O)c1c(F)cccc1F)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is ISRYXLRWMBPYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-15(12-7-4-3-5-8-12)20-11-16(21)17-13(18)9-6-10-14(17)19/h6,9-10,12,15-16,20-21H,2-5,7-8,11H2,1H3.
What are the key properties of 2-(1-cyclohexylpropylamino)-1-(2,6-difluorophenyl)ethanol?
2-(1-cyclohexylpropylamino)-1-(2,6-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-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 62406831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).