3-(3,4-difluoro-N-methylanilino)propan-1-ol

C10H13F2NO — CID 110903439

IUPAC3-(3,4-difluoro-N-methylanilino)propan-1-ol
SMILESCN(CCCO)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c1-13(5-2-6-14)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3
InChIKeyYRJVRPRXVSLJRX-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.78
Rot. Bonds4

About 3-(3,4-difluoro-N-methylanilino)propan-1-ol

3-(3,4-difluoro-N-methylanilino)propan-1-ol (PubChem CID 110903439) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(3,4-difluoro-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-difluoro-N-methylanilino)propan-1-ol
PubChem CID110903439
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(3,4-difluoro-N-methylanilino)propan-1-ol
SMILESCN(CCCO)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c1-13(5-2-6-14)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3
InChIKeyYRJVRPRXVSLJRX-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82116339
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3-(3-bromo-N,4-dimethylanilino)propan-1-ol
CID 82120880
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257757
3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
CID 22706869
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849
3-(4-butan-2-yl-N-methylanilino)propan-1-ol
CID 115216712
N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 114230242
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096
N-butyl-4-fluoro-N-methylaniline
CID 70573878
4-[6-hydroxyhexyl(methyl)amino]benzenecarbothioamide
CID 107703805

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-N-methylanilino)propan-1-ol?
The IUPAC name of 3-(3,4-difluoro-N-methylanilino)propan-1-ol (CID 110903439) is 3-(3,4-difluoro-N-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(3,4-difluoro-N-methylanilino)propan-1-ol?
The canonical SMILES for 3-(3,4-difluoro-N-methylanilino)propan-1-ol is CN(CCCO)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluoro-N-methylanilino)propan-1-ol?
The InChIKey is YRJVRPRXVSLJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-13(5-2-6-14)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 3-(3,4-difluoro-N-methylanilino)propan-1-ol?
3-(3,4-difluoro-N-methylanilino)propan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-N-methylanilino)propan-1-ol is sourced from PubChem (CID 110903439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).