2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol

C16H17FN2O — CID 64782991

IUPAC2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
SMILESCN1CCc2cc(CNc3ccc(O)c(F)c3)ccc21
InChIInChI=1S/C16H17FN2O/c1-19-7-6-12-8-11(2-4-15(12)19)10-18-13-3-5-16(20)14(17)9-13/h2-5,8-9,18,20H,6-7,10H2,1H3
InChIKeyXGHOHCXTWIFCQV-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.14
Rot. Bonds3

About 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol

2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol (PubChem CID 64782991) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
PubChem CID64782991
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
SMILESCN1CCc2cc(CNc3ccc(O)c(F)c3)ccc21
InChIInChI=1S/C16H17FN2O/c1-19-7-6-12-8-11(2-4-15(12)19)10-18-13-3-5-16(20)14(17)9-13/h2-5,8-9,18,20H,6-7,10H2,1H3
InChIKeyXGHOHCXTWIFCQV-UHFFFAOYSA-N
XLogP3.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953
4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63444151
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
CID 107685267
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]benzamide
CID 62097018
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
CID 62095305
[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
CID 62096158
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
CID 66473251

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol?
The IUPAC name of 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol (CID 64782991) is 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol?
The canonical SMILES for 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol is CN1CCc2cc(CNc3ccc(O)c(F)c3)ccc21.
What is the InChIKey of 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol?
The InChIKey is XGHOHCXTWIFCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19-7-6-12-8-11(2-4-15(12)19)10-18-13-3-5-16(20)14(17)9-13/h2-5,8-9,18,20H,6-7,10H2,1H3.
What are the key properties of 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol?
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol has a molecular weight of 272.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol is sourced from PubChem (CID 64782991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).