1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol

C14H19F2NO2 — CID 82316272

IUPAC1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
SMILESCC(NCC1CCCO1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-9(17-8-11-3-2-6-19-11)14(18)10-4-5-12(15)13(16)7-10/h4-5,7,9,11,14,17-18H,2-3,6,8H2,1H3
InChIKeyCVFSOHDFJXJAEC-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.16
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol

1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol (PubChem CID 82316272) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
PubChem CID82316272
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
SMILESCC(NCC1CCCO1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-9(17-8-11-3-2-6-19-11)14(18)10-4-5-12(15)13(16)7-10/h4-5,7,9,11,14,17-18H,2-3,6,8H2,1H3
InChIKeyCVFSOHDFJXJAEC-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 97333998
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
CID 54938804
(1S)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 29038668
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 164664251
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol (CID 82316272) is 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol is CC(NCC1CCCO1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol?
The InChIKey is CVFSOHDFJXJAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(17-8-11-3-2-6-19-11)14(18)10-4-5-12(15)13(16)7-10/h4-5,7,9,11,14,17-18H,2-3,6,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol?
1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol has a molecular weight of 271.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 82316272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).