3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline

C16H18FNO2 — CID 62565551

IUPAC3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
SMILESCOc1cccc(COCCNc2cccc(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-19-16-7-2-4-13(10-16)12-20-9-8-18-15-6-3-5-14(17)11-15/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyVTNQQTHEOBYVRY-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.46
Rot. Bonds7

About 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline

3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline (PubChem CID 62565551) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
PubChem CID62565551
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
SMILESCOc1cccc(COCCNc2cccc(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-19-16-7-2-4-13(10-16)12-20-9-8-18-15-6-3-5-14(17)11-15/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyVTNQQTHEOBYVRY-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.46
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-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]aniline
CID 63685534
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzothiazol-2-amine
CID 133390194
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
CID 133390192
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
CID 133390213
N-[2-[(3-methoxyphenyl)methoxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133390223
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline (CID 62565551) is 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline is COc1cccc(COCCNc2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline?
The InChIKey is VTNQQTHEOBYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-16-7-2-4-13(10-16)12-20-9-8-18-15-6-3-5-14(17)11-15/h2-7,10-11,18H,8-9,12H2,1H3.
What are the key properties of 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline?
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline has a molecular weight of 275.32 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline is sourced from PubChem (CID 62565551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).