2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol

C16H17FN2O — CID 103496794

IUPAC2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
SMILESCC(N)c1ccc(N2CCc3ccc(F)cc32)cc1O
InChIInChI=1S/C16H17FN2O/c1-10(18)14-5-4-13(9-16(14)20)19-7-6-11-2-3-12(17)8-15(11)19/h2-5,8-10,20H,6-7,18H2,1H3
InChIKeyNNNFVNRXIBQRBV-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.25
Rot. Bonds2

About 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol

2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol (PubChem CID 103496794) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
PubChem CID103496794
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
SMILESCC(N)c1ccc(N2CCc3ccc(F)cc32)cc1O
InChIInChI=1S/C16H17FN2O/c1-10(18)14-5-4-13(9-16(14)20)19-7-6-11-2-3-12(17)8-15(11)19/h2-5,8-10,20H,6-7,18H2,1H3
InChIKeyNNNFVNRXIBQRBV-UHFFFAOYSA-N
XLogP3.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol 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

(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496718
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
(1R)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496695
(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496697
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 107282369
1-[5-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]propan-1-ol
CID 103498405
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol?
The IUPAC name of 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol (CID 103496794) is 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol is CC(N)c1ccc(N2CCc3ccc(F)cc32)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol?
The InChIKey is NNNFVNRXIBQRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10(18)14-5-4-13(9-16(14)20)19-7-6-11-2-3-12(17)8-15(11)19/h2-5,8-10,20H,6-7,18H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol?
2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol has a molecular weight of 272.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol is sourced from PubChem (CID 103496794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).