6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol

C9H11FN2O — CID 130722314

IUPAC6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol
SMILESC=C[C@H](N)c1c(F)ccc(N)c1O
InChIInChI=1S/C9H11FN2O/c1-2-6(11)8-5(10)3-4-7(12)9(8)13/h2-4,6,13H,1,11-12H2/t6-/m0/s1
InChIKeyLUGXRPVULGTDRW-LURJTMIESA-N
MW182.20 g/mol
LogP1.30
Rot. Bonds2

About 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol

6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol (PubChem CID 130722314) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol.

Molecular Properties

Compound Name6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol
PubChem CID130722314
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol
SMILESC=C[C@H](N)c1c(F)ccc(N)c1O
InChIInChI=1S/C9H11FN2O/c1-2-6(11)8-5(10)3-4-7(12)9(8)13/h2-4,6,13H,1,11-12H2/t6-/m0/s1
InChIKeyLUGXRPVULGTDRW-LURJTMIESA-N
XLogP1.30
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol 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

6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride
CID 171253567
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-3-methylphenol
CID 130692924
6-[(1S)-1-aminoprop-2-enyl]-2,3-difluorophenol;hydrochloride
CID 171253100
(1S)-1-(3-bromo-2,6-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171224707
6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol
CID 130894325
2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
CID 55297833
(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171215724
2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
CID 130804785
2-amino-6-[(1R)-1-aminoprop-2-enyl]-4-fluorophenol;hydrochloride
CID 171257243
2-(1-aminoprop-2-enyl)-4-chloroaniline
CID 55283411
3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol
CID 131122898
(1S)-1-(4-bromo-2,6-difluorophenyl)prop-2-en-1-amine
CID 130898055

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol?
The IUPAC name of 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol (CID 130722314) is 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol.
What is the SMILES notation for 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol?
The canonical SMILES for 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol is C=C[C@H](N)c1c(F)ccc(N)c1O.
What is the InChIKey of 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol?
The InChIKey is LUGXRPVULGTDRW-LURJTMIESA-N. The full InChI is InChI=1S/C9H11FN2O/c1-2-6(11)8-5(10)3-4-7(12)9(8)13/h2-4,6,13H,1,11-12H2/t6-/m0/s1.
What are the key properties of 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol?
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol has a molecular weight of 182.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol is sourced from PubChem (CID 130722314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).