5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline

C15H16FNO2 — CID 107259817

IUPAC5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline
SMILESCOc1cc(OC(C)c2ccccc2)c(F)cc1N
InChIInChI=1S/C15H16FNO2/c1-10(11-6-4-3-5-7-11)19-14-9-15(18-2)13(17)8-12(14)16/h3-10H,17H2,1-2H3
InChIKeyMPKCIDDVGBSEJL-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.56
Rot. Bonds4

About 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline

5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline (PubChem CID 107259817) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline
PubChem CID107259817
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline
SMILESCOc1cc(OC(C)c2ccccc2)c(F)cc1N
InChIInChI=1S/C15H16FNO2/c1-10(11-6-4-3-5-7-11)19-14-9-15(18-2)13(17)8-12(14)16/h3-10H,17H2,1-2H3
InChIKeyMPKCIDDVGBSEJL-UHFFFAOYSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-(1-phenylethoxy)aniline
CID 62058742
(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine
CID 63370497
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine
CID 68510717
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256
2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
CID 107259815
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
4-chloro-5-fluoro-6-(1-phenylethoxy)benzene-1,3-diamine
CID 103553678
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
methyl 5-fluoro-2-methoxy-4-[(1S)-1-pyridin-4-ylethoxy]benzoate
CID 22883081
3-amino-N,N-dimethyl-4-(1-phenylethoxy)benzamide
CID 82993190

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline (CID 107259817) is 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline is COc1cc(OC(C)c2ccccc2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline?
The InChIKey is MPKCIDDVGBSEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(11-6-4-3-5-7-11)19-14-9-15(18-2)13(17)8-12(14)16/h3-10H,17H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline?
5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline has a molecular weight of 261.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline is sourced from PubChem (CID 107259817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).