2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine

C27H31NO — CID 145071342

IUPAC2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(/C(=C(/C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO/c1-4-28(5-2)20-21-29-26-18-16-25(17-19-26)27(24-14-10-7-11-15-24)22(3)23-12-8-6-9-13-23/h6-19H,4-5,20-21H2,1-3H3/b27-22-
InChIKeyUKEYEUYIUIALKO-QYQHSDTDSA-N
MW385.55 g/mol
LogP6.39
Rot. Bonds9

About 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine

2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine (PubChem CID 145071342) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
PubChem CID145071342
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(/C(=C(/C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO/c1-4-28(5-2)20-21-29-26-18-16-25(17-19-26)27(24-14-10-7-11-15-24)22(3)23-12-8-6-9-13-23/h6-19H,4-5,20-21H2,1-3H3/b27-22-
InChIKeyUKEYEUYIUIALKO-QYQHSDTDSA-N
XLogP6.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.39
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

5-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylprop-1-enyl]-2-methoxyphenol
CID 90213605
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine
CID 54115203
4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]benzonitrile
CID 139774948
4-[(E)-4-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 177495982
3-[(Z)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
CID 71494458
[4-[(E)-2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]prop-1-enyl]phenyl] butanoate
CID 155808930
9-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylnonan-1-amine
CID 54293078
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen
CID 159690868

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine (CID 145071342) is 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(/C(=C(/C)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine?
The InChIKey is UKEYEUYIUIALKO-QYQHSDTDSA-N. The full InChI is InChI=1S/C27H31NO/c1-4-28(5-2)20-21-29-26-18-16-25(17-19-26)27(24-14-10-7-11-15-24)22(3)23-12-8-6-9-13-23/h6-19H,4-5,20-21H2,1-3H3/b27-22-.
What are the key properties of 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine?
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine has a molecular weight of 385.55 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 145071342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).