2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol

C12H17F2NO — CID 61053956

IUPAC2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-3-7-15-12(2,8-16)11-9(13)5-4-6-10(11)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyRVICCEGORIXFEF-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.17
Rot. Bonds5

About 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol

2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol (PubChem CID 61053956) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol
PubChem CID61053956
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c1-3-7-15-12(2,8-16)11-9(13)5-4-6-10(11)14/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyRVICCEGORIXFEF-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(2,6-difluorophenyl)propan-1-ol
CID 61046430
2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049920
2-(2-methylphenyl)-2-(propylamino)propan-1-ol
CID 61055182
2-(2-ethoxyphenyl)-2-(propylamino)propan-1-ol
CID 61056385
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
3-(2,6-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023147
2-(2-methoxyphenyl)-2-(propylamino)propan-1-ol
CID 61057006
2,6-difluoro-N-propylaniline
CID 21161523
2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol
CID 61056180
1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
CID 115609626
4-(2,6-difluorophenyl)heptan-4-ol
CID 114865715
(2S)-2-(2,6-difluorophenyl)-2-(ethylamino)propanoic acid
CID 93280142

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol (CID 61053956) is 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol is CCCNC(C)(CO)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol?
The InChIKey is RVICCEGORIXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-7-15-12(2,8-16)11-9(13)5-4-6-10(11)14/h4-6,15-16H,3,7-8H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol?
2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 61053956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).