4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline

C15H16FNO2 — CID 114839538

IUPAC4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
SMILESCOc1cc(NCCOc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO2/c1-18-15-11-12(7-8-14(15)16)17-9-10-19-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyUTZBPSGLGSURTP-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.33
Rot. Bonds6

About 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline

4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline (PubChem CID 114839538) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
PubChem CID114839538
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
SMILESCOc1cc(NCCOc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO2/c1-18-15-11-12(7-8-14(15)16)17-9-10-19-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyUTZBPSGLGSURTP-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
4-fluoro-3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 114839278
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 54799245
3-chloro-4-fluoro-N-(4-phenoxybutyl)aniline
CID 82095796
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline (CID 114839538) is 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline is COc1cc(NCCOc2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline?
The InChIKey is UTZBPSGLGSURTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-15-11-12(7-8-14(15)16)17-9-10-19-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline?
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline has a molecular weight of 261.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 114839538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).