(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine

C13H18FN — CID 103093148

IUPAC(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(F)cc1C
InChIInChI=1S/C13H18FN/c1-9(11(3)15-4)7-12-5-6-13(14)8-10(12)2/h5-8,11,15H,1-4H3/b9-7+
InChIKeyZABSAASDBOAERI-VQHVLOKHSA-N
MW207.29 g/mol
LogP3.15
Rot. Bonds3

About (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine

(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine (PubChem CID 103093148) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine
PubChem CID103093148
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(F)cc1C
InChIInChI=1S/C13H18FN/c1-9(11(3)15-4)7-12-5-6-13(14)8-10(12)2/h5-8,11,15H,1-4H3/b9-7+
InChIKeyZABSAASDBOAERI-VQHVLOKHSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine (CID 103093148) is (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine is CNC(C)/C(C)=C/c1ccc(F)cc1C.
What is the InChIKey of (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine?
The InChIKey is ZABSAASDBOAERI-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(11(3)15-4)7-12-5-6-13(14)8-10(12)2/h5-8,11,15H,1-4H3/b9-7+.
What are the key properties of (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine?
(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine has a molecular weight of 207.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103093148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).