2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol

C16H16FNO — CID 103948018

IUPAC2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol
SMILESOc1ccc(F)cc1CNC1CCc2ccccc21
InChIInChI=1S/C16H16FNO/c17-13-6-8-16(19)12(9-13)10-18-15-7-5-11-3-1-2-4-14(11)15/h1-4,6,8-9,15,18-19H,5,7,10H2
InChIKeyHBPBZNVIKBRCCX-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.31
Rot. Bonds3

About 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol

2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol (PubChem CID 103948018) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol
PubChem CID103948018
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol
SMILESOc1ccc(F)cc1CNC1CCc2ccccc21
InChIInChI=1S/C16H16FNO/c17-13-6-8-16(19)12(9-13)10-18-15-7-5-11-3-1-2-4-14(11)15/h1-4,6,8-9,15,18-19H,5,7,10H2
InChIKeyHBPBZNVIKBRCCX-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-fluorophenol
CID 142098971
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62123469
N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 114452205
4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzene-1,2,3-triol
CID 107730407
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
CID 43652118
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181895
2-fluoro-6-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenol
CID 115951009
N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149374
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol?
The IUPAC name of 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol (CID 103948018) is 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol is Oc1ccc(F)cc1CNC1CCc2ccccc21.
What is the InChIKey of 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol?
The InChIKey is HBPBZNVIKBRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-6-8-16(19)12(9-13)10-18-15-7-5-11-3-1-2-4-14(11)15/h1-4,6,8-9,15,18-19H,5,7,10H2.
What are the key properties of 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol?
2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol has a molecular weight of 257.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol is sourced from PubChem (CID 103948018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).