1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol

C14H19F2NO2 — CID 114756441

IUPAC1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol
SMILESOCCC1(CNCC(O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H19F2NO2/c15-11-2-1-10(7-12(11)16)13(19)8-17-9-14(3-4-14)5-6-18/h1-2,7,13,17-19H,3-6,8-9H2
InChIKeyPOXMUMHGVHBPBF-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.75
Rot. Bonds7

About 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol

1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol (PubChem CID 114756441) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol
PubChem CID114756441
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol
SMILESOCCC1(CNCC(O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H19F2NO2/c15-11-2-1-10(7-12(11)16)13(19)8-17-9-14(3-4-14)5-6-18/h1-2,7,13,17-19H,3-6,8-9H2
InChIKeyPOXMUMHGVHBPBF-UHFFFAOYSA-N
XLogP1.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol with MolForge

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Related Compounds

2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol
CID 114756302
1-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cycloheptan-1-ol
CID 60763044
1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol
CID 104954541
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
3-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclobutan-1-ol
CID 66006149
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 54932887
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol (CID 114756441) is 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol is OCCC1(CNCC(O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol?
The InChIKey is POXMUMHGVHBPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-11-2-1-10(7-12(11)16)13(19)8-17-9-14(3-4-14)5-6-18/h1-2,7,13,17-19H,3-6,8-9H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol?
1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol has a molecular weight of 271.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol is sourced from PubChem (CID 114756441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).