2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine

C24H25NO — CID 3036172

IUPAC2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-
InChIKeyMCJKBWHDNUSJLW-VHXPQNKSSA-N
MW343.47 g/mol
LogP5.39
Rot. Bonds7

About 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine

2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine (PubChem CID 3036172) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine
PubChem CID3036172
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-
InChIKeyMCJKBWHDNUSJLW-VHXPQNKSSA-N
XLogP5.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine?
The IUPAC name of 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine (CID 3036172) is 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine.
What is the SMILES notation for 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine?
The canonical SMILES for 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine is CC/C(=C(\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine?
The InChIKey is MCJKBWHDNUSJLW-VHXPQNKSSA-N. The full InChI is InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-.
What are the key properties of 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine?
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine has a molecular weight of 343.47 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethanamine is sourced from PubChem (CID 3036172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).