3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine

C27H32N2O — CID 54115203

IUPAC3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine
SMILESCCN(CC)CCOc1ccc(C(=C(CN)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H32N2O/c1-3-29(4-2)19-20-30-25-17-15-24(16-18-25)27(23-13-9-6-10-14-23)26(21-28)22-11-7-5-8-12-22/h5-18H,3-4,19-21,28H2,1-2H3
InChIKeyNJVVLNOIODULKQ-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.32
Rot. Bonds10

About 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine

3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine (PubChem CID 54115203) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine
PubChem CID54115203
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine
SMILESCCN(CC)CCOc1ccc(C(=C(CN)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H32N2O/c1-3-29(4-2)19-20-30-25-17-15-24(16-18-25)27(23-13-9-6-10-14-23)26(21-28)22-11-7-5-8-12-22/h5-18H,3-4,19-21,28H2,1-2H3
InChIKeyNJVVLNOIODULKQ-UHFFFAOYSA-N
XLogP5.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]benzonitrile
CID 139774948
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
4-[(E)-4-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 177495982
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrobromide
CID 157036879
2-[4-[(Z)-4-bromo-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 13424658
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
3-[(Z)-2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
CID 71494458
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
9-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylnonan-1-amine
CID 54293078
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide
CID 166643688

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine?
The IUPAC name of 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine (CID 54115203) is 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine?
The canonical SMILES for 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine is CCN(CC)CCOc1ccc(C(=C(CN)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine?
The InChIKey is NJVVLNOIODULKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-3-29(4-2)19-20-30-25-17-15-24(16-18-25)27(23-13-9-6-10-14-23)26(21-28)22-11-7-5-8-12-22/h5-18H,3-4,19-21,28H2,1-2H3.
What are the key properties of 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine?
3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine has a molecular weight of 400.57 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(diethylamino)ethoxy]phenyl]-2,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 54115203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).