4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol

C16H16FNO — CID 107685267

IUPAC4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
SMILESOc1ccc(CNc2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C16H16FNO/c17-15-8-11(4-7-16(15)19)10-18-14-6-5-12-2-1-3-13(12)9-14/h4-9,18-19H,1-3,10H2
InChIKeyZHTUAVCPWWIOPK-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.63
Rot. Bonds3

About 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol

4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol (PubChem CID 107685267) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
PubChem CID107685267
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
SMILESOc1ccc(CNc2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C16H16FNO/c17-15-8-11(4-7-16(15)19)10-18-14-6-5-12-2-1-3-13(12)9-14/h4-9,18-19H,1-3,10H2
InChIKeyZHTUAVCPWWIOPK-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
CID 82132113
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79710387
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 114841362
3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzene-1,2-diol
CID 61319273
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 107619769
2-chloro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoic acid
CID 107685555

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol (CID 107685267) is 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol is Oc1ccc(CNc2ccc3c(c2)CCC3)cc1F.
What is the InChIKey of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol?
The InChIKey is ZHTUAVCPWWIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-8-11(4-7-16(15)19)10-18-14-6-5-12-2-1-3-13(12)9-14/h4-9,18-19H,1-3,10H2.
What are the key properties of 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol?
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol has a molecular weight of 257.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol is sourced from PubChem (CID 107685267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).