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

C14H20FN — CID 103093674

IUPAC(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccccc1F
InChIInChI=1S/C14H20FN/c1-4-9-16-12(3)11(2)10-13-7-5-6-8-14(13)15/h5-8,10,12,16H,4,9H2,1-3H3/b11-10+
InChIKeyCNDSEGGSZHITOF-ZHACJKMWSA-N
MW221.32 g/mol
LogP3.62
Rot. Bonds5

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

(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine (PubChem CID 103093674) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
PubChem CID103093674
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccccc1F
InChIInChI=1S/C14H20FN/c1-4-9-16-12(3)11(2)10-13-7-5-6-8-14(13)15/h5-8,10,12,16H,4,9H2,1-3H3/b11-10+
InChIKeyCNDSEGGSZHITOF-ZHACJKMWSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine (CID 103093674) is (E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1ccccc1F.
What is the InChIKey of (E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine?
The InChIKey is CNDSEGGSZHITOF-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-9-16-12(3)11(2)10-13-7-5-6-8-14(13)15/h5-8,10,12,16H,4,9H2,1-3H3/b11-10+.
What are the key properties of (E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine?
(E)-4-(2-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-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).