N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline

C13H20FNO — CID 60961963

IUPACN-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
SMILESCCC(CC)CNc1ccc(F)cc1OC
InChIInChI=1S/C13H20FNO/c1-4-10(5-2)9-15-12-7-6-11(14)8-13(12)16-3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyCXBJJUPLTRGIIT-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.68
Rot. Bonds6

About N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline

N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline (PubChem CID 60961963) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
PubChem CID60961963
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
SMILESCCC(CC)CNc1ccc(F)cc1OC
InChIInChI=1S/C13H20FNO/c1-4-10(5-2)9-15-12-7-6-11(14)8-13(12)16-3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyCXBJJUPLTRGIIT-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
methyl 2-acetamido-3-(4-fluoro-2-methoxyanilino)propanoate
CID 103245525
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639
N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525122
4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 102975690
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline?
The IUPAC name of N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline (CID 60961963) is N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline is CCC(CC)CNc1ccc(F)cc1OC.
What is the InChIKey of N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline?
The InChIKey is CXBJJUPLTRGIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-10(5-2)9-15-12-7-6-11(14)8-13(12)16-3/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline?
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline has a molecular weight of 225.31 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 60961963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).