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

C13H20FNO2 — CID 102975690

IUPAC4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOc1cc(F)ccc1NCCC(C)(C)OC
InChIInChI=1S/C13H20FNO2/c1-13(2,17-4)7-8-15-11-6-5-10(14)9-12(11)16-3/h5-6,9,15H,7-8H2,1-4H3
InChIKeyDWEKUYXWWKWGMP-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.06
Rot. Bonds6

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

4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline (PubChem CID 102975690) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
PubChem CID102975690
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOc1cc(F)ccc1NCCC(C)(C)OC
InChIInChI=1S/C13H20FNO2/c1-13(2,17-4)7-8-15-11-6-5-10(14)9-12(11)16-3/h5-6,9,15H,7-8H2,1-4H3
InChIKeyDWEKUYXWWKWGMP-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975547
methyl 5-fluoro-2-[(3-methoxy-3-methylbutyl)amino]benzoate
CID 106675284
N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525122
2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 103033084
4-bromo-N-(3-methoxy-3-methylbutyl)-2-(trifluoromethoxy)aniline
CID 103193196
4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 55590956
2-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975543
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline (CID 102975690) is 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline is COc1cc(F)ccc1NCCC(C)(C)OC.
What is the InChIKey of 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline?
The InChIKey is DWEKUYXWWKWGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(2,17-4)7-8-15-11-6-5-10(14)9-12(11)16-3/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline?
4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline has a molecular weight of 241.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline is sourced from PubChem (CID 102975690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).