4-amino-3-(3,4-difluorophenyl)butan-1-ol

C10H13F2NO — CID 22452637

IUPAC4-amino-3-(3,4-difluorophenyl)butan-1-ol
SMILESNCC(CCO)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c11-9-2-1-7(5-10(9)12)8(6-13)3-4-14/h1-2,5,8,14H,3-4,6,13H2
InChIKeyYTNYZIYKOCWKDV-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.39
Rot. Bonds4

About 4-amino-3-(3,4-difluorophenyl)butan-1-ol

4-amino-3-(3,4-difluorophenyl)butan-1-ol (PubChem CID 22452637) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-amino-3-(3,4-difluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(3,4-difluorophenyl)butan-1-ol
PubChem CID22452637
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-amino-3-(3,4-difluorophenyl)butan-1-ol
SMILESNCC(CCO)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c11-9-2-1-7(5-10(9)12)8(6-13)3-4-14/h1-2,5,8,14H,3-4,6,13H2
InChIKeyYTNYZIYKOCWKDV-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-3-(3,4-difluorophenyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenylalaninol, (S)-
CID 447213
DL-Phenylalaninol
CID 76652
phenylalaninol, (R)-
CID 853475
Benzenepentanol, delta-amino-
CID 99992
3-Amino-2-{[4-(trifluoromethyl)phenyl]methyl}propan-1-ol
CID 43184303
2-Amino-3-(perfluoropropyl)-1-phenyl-3-propanol
CID 22284216
Benzeneethanol, alpha-amino-
CID 28618
2-Amino-3-(4-fluorophenyl)propan-1-ol
CID 3048998
3-Amino-2-phenylpropan-1-ol
CID 11286566
3-Amino-2-benzylpropan-1-ol
CID 12420872
2-Amino-2-(4-fluorophenyl)ethanol
CID 14853201
3-Amino-2-methyl-2-phenylpropan-1-ol
CID 356154

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-difluorophenyl)butan-1-ol?
The IUPAC name of 4-amino-3-(3,4-difluorophenyl)butan-1-ol (CID 22452637) is 4-amino-3-(3,4-difluorophenyl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(3,4-difluorophenyl)butan-1-ol?
The canonical SMILES for 4-amino-3-(3,4-difluorophenyl)butan-1-ol is NCC(CCO)c1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-3-(3,4-difluorophenyl)butan-1-ol?
The InChIKey is YTNYZIYKOCWKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-9-2-1-7(5-10(9)12)8(6-13)3-4-14/h1-2,5,8,14H,3-4,6,13H2.
What are the key properties of 4-amino-3-(3,4-difluorophenyl)butan-1-ol?
4-amino-3-(3,4-difluorophenyl)butan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-difluorophenyl)butan-1-ol is sourced from PubChem (CID 22452637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).