3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol

C10H14FNO2 — CID 55271579

IUPAC3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
SMILESNC(CCO)c1ccc(F)c(CO)c1
InChIInChI=1S/C10H14FNO2/c11-9-2-1-7(5-8(9)6-14)10(12)3-4-13/h1-2,5,10,13-14H,3-4,6,12H2
InChIKeyWJDSYVRAIHALCG-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.70
Rot. Bonds4

About 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol

3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol (PubChem CID 55271579) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
PubChem CID55271579
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
SMILESNC(CCO)c1ccc(F)c(CO)c1
InChIInChI=1S/C10H14FNO2/c11-9-2-1-7(5-8(9)6-14)10(12)3-4-13/h1-2,5,10,13-14H,3-4,6,12H2
InChIKeyWJDSYVRAIHALCG-UHFFFAOYSA-N
XLogP0.70
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55272189
[5-(1-aminopropyl)-2-fluorophenyl]methanol
CID 55283310
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
1-[4-fluoro-3-(hydroxymethyl)phenyl]butane-1,2,4-triol
CID 171872202
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
CID 55283323

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol (CID 55271579) is 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol is NC(CCO)c1ccc(F)c(CO)c1.
What is the InChIKey of 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol?
The InChIKey is WJDSYVRAIHALCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c11-9-2-1-7(5-8(9)6-14)10(12)3-4-13/h1-2,5,10,13-14H,3-4,6,12H2.
What are the key properties of 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol?
3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 55271579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).