4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline

C12H16FN — CID 170134397

IUPAC4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline
SMILESCC/C=C(\C)N(C)c1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-4-5-10(2)14(3)12-8-6-11(13)7-9-12/h5-9H,4H2,1-3H3/b10-5+
InChIKeyNMTRDFAVGFAFOG-BJMVGYQFSA-N
MW193.26 g/mol
LogP3.58
Rot. Bonds3

About 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline

4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline (PubChem CID 170134397) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline
PubChem CID170134397
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline
SMILESCC/C=C(\C)N(C)c1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-4-5-10(2)14(3)12-8-6-11(13)7-9-12/h5-9H,4H2,1-3H3/b10-5+
InChIKeyNMTRDFAVGFAFOG-BJMVGYQFSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(Z)-3-(4-fluoro-N-methylanilino)but-2-enylidene]propanedial
CID 143930577
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
N-(4-fluorophenyl)-N-methylcarbamothioyl chloride
CID 2759123
N-(butan-2-ylideneamino)-4-fluoro-N-methylaniline
CID 139783651
4-(4-fluoro-N-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992368
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
2-N-(4-fluorophenyl)-1-N,2-N-dimethylprop-2-ene-1,2-diamine
CID 154666973
N,N-diethyl-4-fluoroaniline
CID 592416
N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide
CID 123365498
ethane;(E,3E)-3-[(4-fluoro-N-methylanilino)methylidene]-4-(4-methylphenyl)hept-4-en-2-one
CID 143451902
4-fluoro-N-methyl-N-propylaniline
CID 23197529
3-butyl-1-(4-fluorophenyl)-1-methylurea
CID 115588404

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline (CID 170134397) is 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline is CC/C=C(\C)N(C)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline?
The InChIKey is NMTRDFAVGFAFOG-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H16FN/c1-4-5-10(2)14(3)12-8-6-11(13)7-9-12/h5-9H,4H2,1-3H3/b10-5+.
What are the key properties of 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline?
4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline has a molecular weight of 193.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline is sourced from PubChem (CID 170134397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).