2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine

C17H20FNO2 — CID 114348469

IUPAC2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1ccc(F)cc1C
InChIInChI=1S/C17H20FNO2/c1-12-9-15(18)5-4-14(12)11-21-16-6-3-13(7-8-19)10-17(16)20-2/h3-6,9-10H,7-8,11,19H2,1-2H3
InChIKeyYDACRPKANRSFMJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.22
Rot. Bonds6

About 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine

2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine (PubChem CID 114348469) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
PubChem CID114348469
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1ccc(F)cc1C
InChIInChI=1S/C17H20FNO2/c1-12-9-15(18)5-4-14(12)11-21-16-6-3-13(7-8-19)10-17(16)20-2/h3-6,9-10H,7-8,11,19H2,1-2H3
InChIKeyYDACRPKANRSFMJ-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 134127167
[3-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690934
4-[[2-(2-aminoethyl)-4-fluorophenoxy]methyl]-3-methylbenzonitrile
CID 107699998
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine (CID 114348469) is 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine is COc1cc(CCN)ccc1OCc1ccc(F)cc1C.
What is the InChIKey of 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is YDACRPKANRSFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-9-15(18)5-4-14(12)11-21-16-6-3-13(7-8-19)10-17(16)20-2/h3-6,9-10H,7-8,11,19H2,1-2H3.
What are the key properties of 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine?
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 114348469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).