4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine

C12H16FN — CID 79705493

IUPAC4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cc(C)cc(F)c1
InChIInChI=1S/C12H16FN/c1-10-7-11(9-12(13)8-10)5-3-4-6-14-2/h3,5,7-9,14H,4,6H2,1-2H3
InChIKeyGAWOBIIQRAXPCP-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.76
Rot. Bonds4

About 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine

4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine (PubChem CID 79705493) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
PubChem CID79705493
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1cc(C)cc(F)c1
InChIInChI=1S/C12H16FN/c1-10-7-11(9-12(13)8-10)5-3-4-6-14-2/h3,5,7-9,14H,4,6H2,1-2H3
InChIKeyGAWOBIIQRAXPCP-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170496221
N-tert-butyl-4-(3-fluoro-5-methylphenyl)but-3-en-1-amine
CID 79703507
1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene
CID 21304348
4-(3,5-dichloro-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170495569
3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol
CID 169454674
2,6-difluoro-4-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496067
4-(2,6-dibromo-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170496822
4-(3,5-dimethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79591077
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
methyl 4-(3-fluoro-5-methylphenyl)but-3-enoate
CID 170500418
2,6-dimethyl-4-[4-(methylamino)but-1-enyl]benzoic acid
CID 170496278
4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170495335

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine (CID 79705493) is 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine is CNCCC=Cc1cc(C)cc(F)c1.
What is the InChIKey of 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine?
The InChIKey is GAWOBIIQRAXPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-10-7-11(9-12(13)8-10)5-3-4-6-14-2/h3,5,7-9,14H,4,6H2,1-2H3.
What are the key properties of 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine?
4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 79705493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).