2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol

C11H15F2NO — CID 115524491

IUPAC2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
SMILESNCC(CO)Cc1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c12-11(13)10-3-1-8(2-4-10)5-9(6-14)7-15/h1-4,9,11,15H,5-7,14H2
InChIKeyFQLFDTXHVIDXEH-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.73
Rot. Bonds5

About 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol

2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol (PubChem CID 115524491) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
PubChem CID115524491
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
SMILESNCC(CO)Cc1ccc(C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c12-11(13)10-3-1-8(2-4-10)5-9(6-14)7-15/h1-4,9,11,15H,5-7,14H2
InChIKeyFQLFDTXHVIDXEH-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-[(4-aminophenyl)methyl]propane-1,3-diol
CID 19593975
4-[2-(aminomethyl)-3-hydroxypropyl]-2-bromophenol
CID 83977179
2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol
CID 84669975
2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol
CID 43117941
2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63497236
1-[4-(difluoromethyl)phenyl]-2-phenylethanol
CID 115524931
2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83926810
2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
CID 83977208
2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
CID 63215682
2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol
CID 103376913

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol (CID 115524491) is 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol is NCC(CO)Cc1ccc(C(F)F)cc1.
What is the InChIKey of 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol?
The InChIKey is FQLFDTXHVIDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-11(13)10-3-1-8(2-4-10)5-9(6-14)7-15/h1-4,9,11,15H,5-7,14H2.
What are the key properties of 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol?
2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 115524491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).