4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline

C22H26N2 — CID 141349985

IUPAC4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)C=CC=CC2)cc1
InChIInChI=1S/C22H26N2/c1-23(2)20-12-8-18(9-13-20)22(16-6-5-7-17-22)19-10-14-21(15-11-19)24(3)4/h5-16H,17H2,1-4H3
InChIKeyPGQVIKPSTZRJEN-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.62
Rot. Bonds4

About 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline

4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline (PubChem CID 141349985) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline
PubChem CID141349985
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)C=CC=CC2)cc1
InChIInChI=1S/C22H26N2/c1-23(2)20-12-8-18(9-13-20)22(16-6-5-7-17-22)19-10-14-21(15-11-19)24(3)4/h5-16H,17H2,1-4H3
InChIKeyPGQVIKPSTZRJEN-UHFFFAOYSA-N
XLogP4.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
CID 159421128
4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene
CID 172762408
4-cyclohexa-2,4-dien-1-yl-N,N-dimethylaniline
CID 13139019
[2-(1-phenylcyclohexa-2,4-dien-1-yl)phenyl]methanol
CID 155775169
6-(dimethylamino)-3,3-bis[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-2-benzofuran-1-one
CID 154137607
4-[2-[4-(dimethylamino)phenyl]-1,3-dioxan-2-yl]-N,N-dimethylaniline
CID 15259611
N,N-dimethyl-4-[1-(trifluoromethyl)cyclopropyl]aniline
CID 174331105
5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione
CID 13241128
[1-(dimethylaminodiazenyl)cyclohexa-2,4-dien-1-yl]sulfonyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
CID 139747018
[1-[4-(dimethylamino)phenyl]cyclobutyl]methanol
CID 83687412
4-[1-(2-aminoethyl)cyclopropyl]-N,N-dimethylaniline
CID 82396466
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline (CID 141349985) is 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)C=CC=CC2)cc1.
What is the InChIKey of 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline?
The InChIKey is PGQVIKPSTZRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-23(2)20-12-8-18(9-13-20)22(16-6-5-7-17-22)19-10-14-21(15-11-19)24(3)4/h5-16H,17H2,1-4H3.
What are the key properties of 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline?
4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline has a molecular weight of 318.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(dimethylamino)phenyl]cyclohexa-2,4-dien-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 141349985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).