3-[(3-fluoro-4-methoxyanilino)methyl]phenol

C14H14FNO2 — CID 43380515

IUPAC3-[(3-fluoro-4-methoxyanilino)methyl]phenol
SMILESCOc1ccc(NCc2cccc(O)c2)cc1F
InChIInChI=1S/C14H14FNO2/c1-18-14-6-5-11(8-13(14)15)16-9-10-3-2-4-12(17)7-10/h2-8,16-17H,9H2,1H3
InChIKeyGHWHKWDLXQJBEA-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.15
Rot. Bonds4

About 3-[(3-fluoro-4-methoxyanilino)methyl]phenol

3-[(3-fluoro-4-methoxyanilino)methyl]phenol (PubChem CID 43380515) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyanilino)methyl]phenol
PubChem CID43380515
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name3-[(3-fluoro-4-methoxyanilino)methyl]phenol
SMILESCOc1ccc(NCc2cccc(O)c2)cc1F
InChIInChI=1S/C14H14FNO2/c1-18-14-6-5-11(8-13(14)15)16-9-10-3-2-4-12(17)7-10/h2-8,16-17H,9H2,1H3
InChIKeyGHWHKWDLXQJBEA-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[(3-fluoro-4-methoxyanilino)methyl]benzonitrile
CID 43380602
methyl N-[2-fluoro-4-[(3-hydroxyphenyl)methylamino]phenyl]carbamate
CID 84600677
N-[4-[(3-hydroxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 43672974
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741
5-[(4-ethoxy-3-fluoroanilino)methyl]-2-methoxyphenol
CID 115587231
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
1-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913928

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyanilino)methyl]phenol?
The IUPAC name of 3-[(3-fluoro-4-methoxyanilino)methyl]phenol (CID 43380515) is 3-[(3-fluoro-4-methoxyanilino)methyl]phenol.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyanilino)methyl]phenol?
The canonical SMILES for 3-[(3-fluoro-4-methoxyanilino)methyl]phenol is COc1ccc(NCc2cccc(O)c2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyanilino)methyl]phenol?
The InChIKey is GHWHKWDLXQJBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-18-14-6-5-11(8-13(14)15)16-9-10-3-2-4-12(17)7-10/h2-8,16-17H,9H2,1H3.
What are the key properties of 3-[(3-fluoro-4-methoxyanilino)methyl]phenol?
3-[(3-fluoro-4-methoxyanilino)methyl]phenol has a molecular weight of 247.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyanilino)methyl]phenol is sourced from PubChem (CID 43380515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).