2-fluoro-4-(1H-indol-7-ylmethylamino)phenol

C15H13FN2O — CID 102911136

IUPAC2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
SMILESOc1ccc(NCc2cccc3cc[nH]c23)cc1F
InChIInChI=1S/C15H13FN2O/c16-13-8-12(4-5-14(13)19)18-9-11-3-1-2-10-6-7-17-15(10)11/h1-8,17-19H,9H2
InChIKeyCJQLTOSHQRGYRC-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.62
Rot. Bonds3

About 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol

2-fluoro-4-(1H-indol-7-ylmethylamino)phenol (PubChem CID 102911136) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol.

Molecular Properties

Compound Name2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
PubChem CID102911136
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
SMILESOc1ccc(NCc2cccc3cc[nH]c23)cc1F
InChIInChI=1S/C15H13FN2O/c16-13-8-12(4-5-14(13)19)18-9-11-3-1-2-10-6-7-17-15(10)11/h1-8,17-19H,9H2
InChIKeyCJQLTOSHQRGYRC-UHFFFAOYSA-N
XLogP3.62
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
3-bromo-N-(1H-indol-7-ylmethyl)aniline
CID 113268158
N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
CID 162548025
2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102910790
2-chloro-4-N-(1H-indol-7-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 103818948
4-chloro-N-(1H-indol-7-ylmethyl)-3-nitroaniline
CID 102909708
N-(1H-indol-7-ylmethyl)quinolin-3-amine
CID 104624378
2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
CID 64795397
3-bromo-N-(1H-indol-7-ylmethyl)-5-methoxyaniline
CID 103876462
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 102909422

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol?
The IUPAC name of 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol (CID 102911136) is 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol.
What is the SMILES notation for 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol?
The canonical SMILES for 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol is Oc1ccc(NCc2cccc3cc[nH]c23)cc1F.
What is the InChIKey of 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol?
The InChIKey is CJQLTOSHQRGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-8-12(4-5-14(13)19)18-9-11-3-1-2-10-6-7-17-15(10)11/h1-8,17-19H,9H2.
What are the key properties of 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol?
2-fluoro-4-(1H-indol-7-ylmethylamino)phenol has a molecular weight of 256.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1H-indol-7-ylmethylamino)phenol is sourced from PubChem (CID 102911136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).