4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline

C25H28N2 — CID 123411835

IUPAC4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
SMILESC=c1ccc(=C(c2ccc(CN(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H28N2/c1-19-6-10-21(11-7-19)25(23-14-16-24(17-15-23)27(4)5)22-12-8-20(9-13-22)18-26(2)3/h6-17H,1,18H2,2-5H3
InChIKeyORFUCVSRFUTUHW-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.47
Rot. Bonds5

About 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline

4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline (PubChem CID 123411835) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
PubChem CID123411835
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
SMILESC=c1ccc(=C(c2ccc(CN(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H28N2/c1-19-6-10-21(11-7-19)25(23-14-16-24(17-15-23)27(4)5)22-12-8-20(9-13-22)18-26(2)3/h6-17H,1,18H2,2-5H3
InChIKeyORFUCVSRFUTUHW-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 21400951
4-[[4-[(chloroamino)methylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 175090302
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline
CID 11101418
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
CID 3817840
1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one
CID 19043759
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
4-(2-bromoprop-2-enyl)-N,N-dimethylaniline
CID 24721880
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845193
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline (CID 123411835) is 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline is C=c1ccc(=C(c2ccc(CN(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline?
The InChIKey is ORFUCVSRFUTUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-19-6-10-21(11-7-19)25(23-14-16-24(17-15-23)27(4)5)22-12-8-20(9-13-22)18-26(2)3/h6-17H,1,18H2,2-5H3.
What are the key properties of 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline?
4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline has a molecular weight of 356.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(dimethylamino)methyl]phenyl]-(4-methylidenecyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 123411835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).