1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine

C12H14FN — CID 176546647

IUPAC1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine
SMILESC=C=C(NCCC)c1ccc(F)cc1
InChIInChI=1S/C12H14FN/c1-3-9-14-12(4-2)10-5-7-11(13)8-6-10/h5-8,14H,2-3,9H2,1H3
InChIKeyVRCWPLGUHKPLJF-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine

1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine (PubChem CID 176546647) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine
PubChem CID176546647
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine
SMILESC=C=C(NCCC)c1ccc(F)cc1
InChIInChI=1S/C12H14FN/c1-3-9-14-12(4-2)10-5-7-11(13)8-6-10/h5-8,14H,2-3,9H2,1H3
InChIKeyVRCWPLGUHKPLJF-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
1-[(4-fluorobenzoyl)amino]-3-propylthiourea
CID 10611037
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
(E)-1-(4-fluorophenyl)-3-methylsulfanyl-3-(propylamino)prop-2-en-1-one
CID 154723342
1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea
CID 19649747
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037415
1-N,4-N-bis[(E)-1-(4-fluorophenyl)-3-oxo-3-(propylamino)prop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665274
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
CID 110316805
ethyl 4-(4-fluorophenyl)-4-oxo-3-(propylamino)butanoate
CID 82322071
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine (CID 176546647) is 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine is C=C=C(NCCC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine?
The InChIKey is VRCWPLGUHKPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-3-9-14-12(4-2)10-5-7-11(13)8-6-10/h5-8,14H,2-3,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine?
1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine has a molecular weight of 191.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine is sourced from PubChem (CID 176546647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).