2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine

C26H28ClNO — CID 71776885

IUPAC2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H28ClNO/c1-3-28(4-2)18-19-29-25-16-12-23(13-17-25)26(22-8-6-5-7-9-22)20-21-10-14-24(27)15-11-21/h5-17,20H,3-4,18-19H2,1-2H3/b26-20+
InChIKeyKYRNNMBJPGHUBQ-LHLOQNFPSA-N
MW405.97 g/mol
LogP6.65
Rot. Bonds9

About 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine

2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine (PubChem CID 71776885) has the molecular formula C26H28ClNO and a molecular weight of 405.97 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
PubChem CID71776885
Molecular FormulaC26H28ClNO
Molecular Weight405.97 g/mol
Exact Mass405.19
IUPAC Name2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H28ClNO/c1-3-28(4-2)18-19-29-25-16-12-23(13-17-25)26(22-8-6-5-7-9-22)20-21-10-14-24(27)15-11-21/h5-17,20H,3-4,18-19H2,1-2H3/b26-20+
InChIKeyKYRNNMBJPGHUBQ-LHLOQNFPSA-N
XLogP6.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.97
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[4-[(Z)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine
CID 20836101
N,N-diethyl-2-[4-[(E)-1-(2-fluorophenyl)-2-pyridin-4-ylethenyl]phenoxy]ethanamine
CID 6365146
4-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenoxy]but-3-en-2-one
CID 54410104
2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
CID 160547333
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
1,4-bis[2,2-bis(4-butoxyphenyl)ethenyl]benzene
CID 102046823
N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine
CID 6913690
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
2-[4-[(E)-2-chloro-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 71314728

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine (CID 71776885) is 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine?
The InChIKey is KYRNNMBJPGHUBQ-LHLOQNFPSA-N. The full InChI is InChI=1S/C26H28ClNO/c1-3-28(4-2)18-19-29-25-16-12-23(13-17-25)26(22-8-6-5-7-9-22)20-21-10-14-24(27)15-11-21/h5-17,20H,3-4,18-19H2,1-2H3/b26-20+.
What are the key properties of 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine?
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine has a molecular weight of 405.97 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 71776885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).