1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol

C10H13F2NO — CID 174763892

IUPAC1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
SMILESCC(O)Cc1ccc(F)c(F)c1CN
InChIInChI=1S/C10H13F2NO/c1-6(14)4-7-2-3-9(11)10(12)8(7)5-13/h2-3,6,14H,4-5,13H2,1H3
InChIKeyAQXZBRZNRNPIPA-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.35
Rot. Bonds3

About 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol

1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol (PubChem CID 174763892) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
PubChem CID174763892
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
SMILESCC(O)Cc1ccc(F)c(F)c1CN
InChIInChI=1S/C10H13F2NO/c1-6(14)4-7-2-3-9(11)10(12)8(7)5-13/h2-3,6,14H,4-5,13H2,1H3
InChIKeyAQXZBRZNRNPIPA-UHFFFAOYSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367
3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
CID 151263607
1-[2-(aminomethyl)-3-(2-hydroxypropyl)-4-[(2-hydroxypropylamino)methyl]phenyl]propan-2-ol
CID 101292420
1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
1-(2,3,6-trifluorophenyl)propan-2-amine
CID 55253455
1-[4-(aminomethyl)-2-[[bis(2-hydroxypropyl)amino]methyl]-3-(2-hydroxypropyl)phenyl]propan-2-ol
CID 101292464
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
CID 117292369
1-[3,4-bis(aminomethyl)-5-(2-hydroxypropyl)phenyl]propan-2-ol
CID 101292380
1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol
CID 117114545
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol (CID 174763892) is 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol is CC(O)Cc1ccc(F)c(F)c1CN.
What is the InChIKey of 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol?
The InChIKey is AQXZBRZNRNPIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(14)4-7-2-3-9(11)10(12)8(7)5-13/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol?
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol is sourced from PubChem (CID 174763892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).