2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol

C10H13F2NO — CID 63215682

IUPAC2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
SMILESNCC(CO)Cc1cccc(F)c1F
InChIInChI=1S/C10H13F2NO/c11-9-3-1-2-8(10(9)12)4-7(5-13)6-14/h1-3,7,14H,4-6,13H2
InChIKeyOGRSWJGYZOFPCQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.07
Rot. Bonds4

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

2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol (PubChem CID 63215682) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
PubChem CID63215682
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
SMILESNCC(CO)Cc1cccc(F)c1F
InChIInChI=1S/C10H13F2NO/c11-9-3-1-2-8(10(9)12)4-7(5-13)6-14/h1-3,7,14H,4-6,13H2
InChIKeyOGRSWJGYZOFPCQ-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
(2,3-difluorophenyl)methanamine
CID 2736941
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
methyl 2-(aminomethyl)-3-(2,3-difluorophenyl)propanoate
CID 63669742
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
4-amino-2-[(2,3-difluorophenyl)methyl]butanoic acid
CID 104680993
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide
CID 63667369
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol (CID 63215682) is 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol is NCC(CO)Cc1cccc(F)c1F.
What is the InChIKey of 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol?
The InChIKey is OGRSWJGYZOFPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-9-3-1-2-8(10(9)12)4-7(5-13)6-14/h1-3,7,14H,4-6,13H2.
What are the key properties of 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol is sourced from PubChem (CID 63215682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).