2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine

C18H22N2 — CID 11425612

IUPAC2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine
SMILESCC/C(=C\c1ccncc1)c1ccc(C(C)(C)N)cc1
InChIInChI=1S/C18H22N2/c1-4-15(13-14-9-11-20-12-10-14)16-5-7-17(8-6-16)18(2,3)19/h5-13H,4,19H2,1-3H3/b15-13+
InChIKeyRPOMVYYWFQOKJQ-FYWRMAATSA-N
MW266.39 g/mol
LogP4.23
Rot. Bonds4

About 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine

2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine (PubChem CID 11425612) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine
PubChem CID11425612
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine
SMILESCC/C(=C\c1ccncc1)c1ccc(C(C)(C)N)cc1
InChIInChI=1S/C18H22N2/c1-4-15(13-14-9-11-20-12-10-14)16-5-7-17(8-6-16)18(2,3)19/h5-13H,4,19H2,1-3H3/b15-13+
InChIKeyRPOMVYYWFQOKJQ-FYWRMAATSA-N
XLogP4.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine?
The IUPAC name of 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine (CID 11425612) is 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine?
The canonical SMILES for 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine is CC/C(=C\c1ccncc1)c1ccc(C(C)(C)N)cc1.
What is the InChIKey of 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine?
The InChIKey is RPOMVYYWFQOKJQ-FYWRMAATSA-N. The full InChI is InChI=1S/C18H22N2/c1-4-15(13-14-9-11-20-12-10-14)16-5-7-17(8-6-16)18(2,3)19/h5-13H,4,19H2,1-3H3/b15-13+.
What are the key properties of 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine?
2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-1-pyridin-4-ylbut-1-en-2-yl]phenyl]propan-2-amine is sourced from PubChem (CID 11425612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).