[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol

C9H13FN2O — CID 55283323

IUPAC[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
SMILESNCC(N)c1ccc(CO)c(F)c1
InChIInChI=1S/C9H13FN2O/c10-8-3-6(9(12)4-11)1-2-7(8)5-13/h1-3,9,13H,4-5,11-12H2
InChIKeyPQDPWDATZFPOSL-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.28
Rot. Bonds3

About [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol

[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol (PubChem CID 55283323) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
PubChem CID55283323
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
SMILESNCC(N)c1ccc(CO)c(F)c1
InChIInChI=1S/C9H13FN2O/c10-8-3-6(9(12)4-11)1-2-7(8)5-13/h1-3,9,13H,4-5,11-12H2
InChIKeyPQDPWDATZFPOSL-UHFFFAOYSA-N
XLogP0.28
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol 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

2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
CID 66516658
[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol
CID 131196207
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
4-(1,2-diaminoethyl)-2,6-difluorophenol
CID 55272259
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
[5-(1-aminopropyl)-2-fluorophenyl]methanol
CID 55283310
(3R)-3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55272189
3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271579
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
N-[4-[(1S)-1,2-diaminoethyl]-2-fluorophenyl]acetamide
CID 66516971

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol?
The IUPAC name of [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol (CID 55283323) is [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol.
What is the SMILES notation for [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol?
The canonical SMILES for [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol is NCC(N)c1ccc(CO)c(F)c1.
What is the InChIKey of [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol?
The InChIKey is PQDPWDATZFPOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c10-8-3-6(9(12)4-11)1-2-7(8)5-13/h1-3,9,13H,4-5,11-12H2.
What are the key properties of [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol?
[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol has a molecular weight of 184.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-diaminoethyl)-2-fluorophenyl]methanol is sourced from PubChem (CID 55283323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).