1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol

C14H20FNO2 — CID 111858572

IUPAC1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
SMILESCN(CC(O)c1cccc(F)c1)CC(O)C1CC1
InChIInChI=1S/C14H20FNO2/c1-16(8-13(17)10-5-6-10)9-14(18)11-3-2-4-12(15)7-11/h2-4,7,10,13-14,17-18H,5-6,8-9H2,1H3
InChIKeyRUGJXZLNIWMBIA-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.56
Rot. Bonds6

About 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol

1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol (PubChem CID 111858572) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
PubChem CID111858572
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
SMILESCN(CC(O)c1cccc(F)c1)CC(O)C1CC1
InChIInChI=1S/C14H20FNO2/c1-16(8-13(17)10-5-6-10)9-14(18)11-3-2-4-12(15)7-11/h2-4,7,10,13-14,17-18H,5-6,8-9H2,1H3
InChIKeyRUGJXZLNIWMBIA-UHFFFAOYSA-N
XLogP1.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
2-[[2-(2-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858860
2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 138003566
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319
1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol
CID 111858759
cis-(1S,2R)-N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-2-(3-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 124738810
(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
CID 24739897
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol (CID 111858572) is 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol is CN(CC(O)c1cccc(F)c1)CC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol?
The InChIKey is RUGJXZLNIWMBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16(8-13(17)10-5-6-10)9-14(18)11-3-2-4-12(15)7-11/h2-4,7,10,13-14,17-18H,5-6,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol?
1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol has a molecular weight of 253.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol is sourced from PubChem (CID 111858572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).