1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol

C12H17F2NO — CID 82316258

IUPAC1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-6-15-8(2)12(16)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15-16H,3,6H2,1-2H3
InChIKeyGUWAMBZGNYFBPL-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.39
Rot. Bonds5

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

1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol (PubChem CID 82316258) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
PubChem CID82316258
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-6-15-8(2)12(16)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15-16H,3,6H2,1-2H3
InChIKeyGUWAMBZGNYFBPL-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
CID 82315039
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
CID 82315715
(1S,2R)-2-[[4-(diethylamino)phenyl]methylamino]-1-(3,4-difluorophenyl)propan-1-ol
CID 124683676
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
4-[[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]amino]pentan-1-ol
CID 110011197
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 82316272
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol (CID 82316258) is 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol is CCCNC(C)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol?
The InChIKey is GUWAMBZGNYFBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-6-15-8(2)12(16)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15-16H,3,6H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol?
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 82316258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).