[3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol

C15H17FN2O — CID 107231858

IUPAC[3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol
SMILESCc1cc(NCc2cccc(CO)c2)c(N)cc1F
InChIInChI=1S/C15H17FN2O/c1-10-5-15(14(17)7-13(10)16)18-8-11-3-2-4-12(6-11)9-19/h2-7,18-19H,8-9,17H2,1H3
InChIKeyXXEPRKQIMVDYEA-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.82
Rot. Bonds4

About [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol

[3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol (PubChem CID 107231858) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol
PubChem CID107231858
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name[3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol
SMILESCc1cc(NCc2cccc(CO)c2)c(N)cc1F
InChIInChI=1S/C15H17FN2O/c1-10-5-15(14(17)7-13(10)16)18-8-11-3-2-4-12(6-11)9-19/h2-7,18-19H,8-9,17H2,1H3
InChIKeyXXEPRKQIMVDYEA-UHFFFAOYSA-N
XLogP2.82
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol (CID 107231858) is [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol is Cc1cc(NCc2cccc(CO)c2)c(N)cc1F.
What is the InChIKey of [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol?
The InChIKey is XXEPRKQIMVDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-5-15(14(17)7-13(10)16)18-8-11-3-2-4-12(6-11)9-19/h2-7,18-19H,8-9,17H2,1H3.
What are the key properties of [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol?
[3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol has a molecular weight of 260.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 107231858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).