[3-(benzylamino)-2-fluoro-6-methylphenyl]methanol

C15H16FNO — CID 165384981

IUPAC[3-(benzylamino)-2-fluoro-6-methylphenyl]methanol
SMILESCc1ccc(NCc2ccccc2)c(F)c1CO
InChIInChI=1S/C15H16FNO/c1-11-7-8-14(15(16)13(11)10-18)17-9-12-5-3-2-4-6-12/h2-8,17-18H,9-10H2,1H3
InChIKeyXGIDVGFMOZVSOT-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.24
Rot. Bonds4

About [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol

[3-(benzylamino)-2-fluoro-6-methylphenyl]methanol (PubChem CID 165384981) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol.

Molecular Properties

Compound Name[3-(benzylamino)-2-fluoro-6-methylphenyl]methanol
PubChem CID165384981
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[3-(benzylamino)-2-fluoro-6-methylphenyl]methanol
SMILESCc1ccc(NCc2ccccc2)c(F)c1CO
InChIInChI=1S/C15H16FNO/c1-11-7-8-14(15(16)13(11)10-18)17-9-12-5-3-2-4-6-12/h2-8,17-18H,9-10H2,1H3
InChIKeyXGIDVGFMOZVSOT-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol?
The IUPAC name of [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol (CID 165384981) is [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol.
What is the SMILES notation for [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol?
The canonical SMILES for [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol is Cc1ccc(NCc2ccccc2)c(F)c1CO.
What is the InChIKey of [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol?
The InChIKey is XGIDVGFMOZVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-7-8-14(15(16)13(11)10-18)17-9-12-5-3-2-4-6-12/h2-8,17-18H,9-10H2,1H3.
What are the key properties of [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol?
[3-(benzylamino)-2-fluoro-6-methylphenyl]methanol has a molecular weight of 245.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylamino)-2-fluoro-6-methylphenyl]methanol is sourced from PubChem (CID 165384981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).