1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol

C12H17F2NO2 — CID 63933180

IUPAC1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO2/c1-2-17-8-10(16)7-15-6-9-3-4-11(13)12(14)5-9/h3-5,10,15-16H,2,6-8H2,1H3
InChIKeyHAAICZBRRLZBMC-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.45
Rot. Bonds7

About 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol

1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol (PubChem CID 63933180) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
PubChem CID63933180
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO2/c1-2-17-8-10(16)7-15-6-9-3-4-11(13)12(14)5-9/h3-5,10,15-16H,2,6-8H2,1H3
InChIKeyHAAICZBRRLZBMC-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 107688740
methyl 4-[(3,4-difluorophenyl)methylamino]-3-hydroxybutanoate
CID 115123344
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375
1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63931946
methyl 2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)amino]methyl]benzoate
CID 106700114
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 60917979
N-[(3,4-difluorophenyl)methyl]-3,3-diethoxypropan-1-amine
CID 81093083

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol (CID 63933180) is 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol is CCOCC(O)CNCc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol?
The InChIKey is HAAICZBRRLZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-2-17-8-10(16)7-15-6-9-3-4-11(13)12(14)5-9/h3-5,10,15-16H,2,6-8H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol?
1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol has a molecular weight of 245.27 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63933180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).