N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine

C22H29NO2 — CID 6913690

IUPACN,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(/C(C)=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29NO2/c1-5-23(6-2)15-16-25-22-13-9-20(10-14-22)18(3)17-19-7-11-21(24-4)12-8-19/h7-14,17H,5-6,15-16H2,1-4H3/b18-17+
InChIKeyUINFNQZMMNSFER-ISLYRVAYSA-N
MW339.48 g/mol
LogP4.98
Rot. Bonds9

About N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine

N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine (PubChem CID 6913690) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine
PubChem CID6913690
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(/C(C)=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29NO2/c1-5-23(6-2)15-16-25-22-13-9-20(10-14-22)18(3)17-19-7-11-21(24-4)12-8-19/h7-14,17H,5-6,15-16H2,1-4H3/b18-17+
InChIKeyUINFNQZMMNSFER-ISLYRVAYSA-N
XLogP4.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812
2-[4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine
CID 71776885
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 5474273
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-[4-(diethylamino)phenyl]prop-2-enenitrile;hydrochloride
CID 54603588
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
4-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenoxy]but-3-en-2-one
CID 54410104
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine (CID 6913690) is N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine is CCN(CC)CCOc1ccc(/C(C)=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine?
The InChIKey is UINFNQZMMNSFER-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-23(6-2)15-16-25-22-13-9-20(10-14-22)18(3)17-19-7-11-21(24-4)12-8-19/h7-14,17H,5-6,15-16H2,1-4H3/b18-17+.
What are the key properties of N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine?
N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine has a molecular weight of 339.48 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine is sourced from PubChem (CID 6913690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).