2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine

C12H16FN — CID 102640274

IUPAC2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-3-12(2,9-14)8-10-4-6-11(13)7-5-10/h3-7H,1,8-9,14H2,2H3
InChIKeyZNUSGSAETMEFOG-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.52
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine

2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine (PubChem CID 102640274) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
PubChem CID102640274
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FN/c1-3-12(2,9-14)8-10-4-6-11(13)7-5-10/h3-7H,1,8-9,14H2,2H3
InChIKeyZNUSGSAETMEFOG-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(aminomethyl)-2-methylbut-3-enyl]phenol
CID 102640315
2-[(2,5-difluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640414
2-[(2-chloro-3-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640347
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene
CID 54122402
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764
3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 102640302
1-fluoro-4-prop-2-enylbenzene;methanamine
CID 143096990
2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine
CID 102640281
1-[2-(chloromethyl)-2-methylbut-3-enyl]-3-fluorobenzene
CID 102642071

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine (CID 102640274) is 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine is C=CC(C)(CN)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine?
The InChIKey is ZNUSGSAETMEFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-12(2,9-14)8-10-4-6-11(13)7-5-10/h3-7H,1,8-9,14H2,2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine?
2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).