4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol

C15H15FN2O — CID 103494091

IUPAC4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
SMILESNc1ccc(O)c(CN2CCc3ccc(F)cc32)c1
InChIInChI=1S/C15H15FN2O/c16-12-2-1-10-5-6-18(14(10)8-12)9-11-7-13(17)3-4-15(11)19/h1-4,7-8,19H,5-6,9,17H2
InChIKeyNVDMYQYYSWCDHS-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.68
Rot. Bonds2

About 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol

4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol (PubChem CID 103494091) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
PubChem CID103494091
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
SMILESNc1ccc(O)c(CN2CCc3ccc(F)cc32)c1
InChIInChI=1S/C15H15FN2O/c16-12-2-1-10-5-6-18(14(10)8-12)9-11-7-13(17)3-4-15(11)19/h1-4,7-8,19H,5-6,9,17H2
InChIKeyNVDMYQYYSWCDHS-UHFFFAOYSA-N
XLogP2.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2,3-dihydroindol-1-yl)methyl]-4-fluorobenzonitrile
CID 107906091
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
3-chloro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103504803
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 102856206
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine
CID 103502277
4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 103495865
3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide
CID 103503781
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
CID 103495908
4-[4-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-yl]aniline
CID 103497312
1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501605
4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol?
The IUPAC name of 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol (CID 103494091) is 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol.
What is the SMILES notation for 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol?
The canonical SMILES for 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol is Nc1ccc(O)c(CN2CCc3ccc(F)cc32)c1.
What is the InChIKey of 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol?
The InChIKey is NVDMYQYYSWCDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-12-2-1-10-5-6-18(14(10)8-12)9-11-7-13(17)3-4-15(11)19/h1-4,7-8,19H,5-6,9,17H2.
What are the key properties of 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol?
4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol has a molecular weight of 258.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol is sourced from PubChem (CID 103494091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).