N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline

C16H23NO — CID 67763513

IUPACN,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline
SMILESC=CC(C=Cc1ccc(N(CC)CC)cc1)OC
InChIInChI=1S/C16H23NO/c1-5-16(18-4)13-10-14-8-11-15(12-9-14)17(6-2)7-3/h5,8-13,16H,1,6-7H2,2-4H3
InChIKeyOJLGOXWWGTYPLE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.75
Rot. Bonds7

About N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline

N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline (PubChem CID 67763513) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline
PubChem CID67763513
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline
SMILESC=CC(C=Cc1ccc(N(CC)CC)cc1)OC
InChIInChI=1S/C16H23NO/c1-5-16(18-4)13-10-14-8-11-15(12-9-14)17(6-2)7-3/h5,8-13,16H,1,6-7H2,2-4H3
InChIKeyOJLGOXWWGTYPLE-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-ethenyl-N-ethyl-N-propylaniline
CID 89377389
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
4-[2-[1-[2-[2-[4-[2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-N,N-diethylaniline
CID 75984107
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396
carbanide;4-[(E)-2-[1-[6-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]ethenyl]-N,N-diethylaniline
CID 158421229
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline?
The IUPAC name of N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline (CID 67763513) is N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline?
The canonical SMILES for N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline is C=CC(C=Cc1ccc(N(CC)CC)cc1)OC.
What is the InChIKey of N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline?
The InChIKey is OJLGOXWWGTYPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-16(18-4)13-10-14-8-11-15(12-9-14)17(6-2)7-3/h5,8-13,16H,1,6-7H2,2-4H3.
What are the key properties of N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline?
N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline has a molecular weight of 245.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methoxypenta-1,4-dienyl)aniline is sourced from PubChem (CID 67763513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).