(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine

C14H20FN — CID 103093795

IUPAC(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-4-8-16-12(3)11(2)9-13-6-5-7-14(15)10-13/h5-7,9-10,12,16H,4,8H2,1-3H3/b11-9+
InChIKeyTXLDFOIXSIJHEH-PKNBQFBNSA-N
MW221.32 g/mol
LogP3.62
Rot. Bonds5

About (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine

(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine (PubChem CID 103093795) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
PubChem CID103093795
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-4-8-16-12(3)11(2)9-13-6-5-7-14(15)10-13/h5-7,9-10,12,16H,4,8H2,1-3H3/b11-9+
InChIKeyTXLDFOIXSIJHEH-PKNBQFBNSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(3-cyclopropylphenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093635
(E)-3-methyl-N-propyl-4-pyridin-3-ylbut-3-en-2-amine
CID 103093541
(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093674
(E)-4-(4-fluoro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093589
(E)-3-methyl-N-propyl-4-(2,4,5-trifluorophenyl)but-3-en-2-amine
CID 114058177
2-methoxy-5-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenol
CID 103093629
2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329580
(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
CID 103093563
(E)-N-ethyl-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-amine
CID 103093456
N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide
CID 166907403
(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
CID 103093597
(E)-3-methyl-4-(2-methylquinolin-4-yl)-N-propylbut-3-en-2-amine
CID 103093547

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine (CID 103093795) is (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1cccc(F)c1.
What is the InChIKey of (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The InChIKey is TXLDFOIXSIJHEH-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-8-16-12(3)11(2)9-13-6-5-7-14(15)10-13/h5-7,9-10,12,16H,4,8H2,1-3H3/b11-9+.
What are the key properties of (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine?
(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).