4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline

C13H20FNO — CID 115760953

IUPAC4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline
SMILESCCc1ccc(NC(C)CCOC)cc1F
InChIInChI=1S/C13H20FNO/c1-4-11-5-6-12(9-13(11)14)15-10(2)7-8-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyYKOQWDCSUAGUEE-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.22
Rot. Bonds6

About 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline

4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline (PubChem CID 115760953) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline
PubChem CID115760953
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline
SMILESCCc1ccc(NC(C)CCOC)cc1F
InChIInChI=1S/C13H20FNO/c1-4-11-5-6-12(9-13(11)14)15-10(2)7-8-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyYKOQWDCSUAGUEE-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethyl-3-fluoroanilino)pentan-1-ol
CID 115976008
4-N-(4-methoxybutan-2-yl)-2-methylbenzene-1,4-diamine
CID 19861688
4-(4-methoxybutan-2-ylamino)-2-(trifluoromethyl)benzoic acid
CID 64605960
2-fluoro-4-(1-methoxypropan-2-ylamino)benzenecarbothioamide
CID 115367760
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
2,6-difluoro-N-(4-methoxybutan-2-yl)-3-methylaniline
CID 82816575
2-fluoro-4-(hexadecan-2-ylamino)benzoic acid
CID 20536551
3-[3-(4-methoxybutan-2-ylamino)phenyl]propanoic acid
CID 122044452
3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534908
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306
N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 115632231

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline?
The IUPAC name of 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline (CID 115760953) is 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline.
What is the SMILES notation for 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline?
The canonical SMILES for 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline is CCc1ccc(NC(C)CCOC)cc1F.
What is the InChIKey of 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline?
The InChIKey is YKOQWDCSUAGUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-11-5-6-12(9-13(11)14)15-10(2)7-8-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline?
4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline has a molecular weight of 225.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline is sourced from PubChem (CID 115760953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).