4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline

C27H33N3 — CID 11101418

IUPAC4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CC=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H33N3/c1-28(2)24-14-7-21(8-15-24)9-20-27(22-10-16-25(17-11-22)29(3)4)23-12-18-26(19-13-23)30(5)6/h7-8,10-20H,9H2,1-6H3
InChIKeyMFFIPSZLDZQTRF-UHFFFAOYSA-N
MW399.58 g/mol
LogP5.56
Rot. Bonds7

About 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline

4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline (PubChem CID 11101418) has the molecular formula C27H33N3 and a molecular weight of 399.58 g/mol. Its IUPAC name is 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline
PubChem CID11101418
Molecular FormulaC27H33N3
Molecular Weight399.58 g/mol
Exact Mass399.27
IUPAC Name4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CC=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H33N3/c1-28(2)24-14-7-21(8-15-24)9-20-27(22-10-16-25(17-11-22)29(3)4)23-12-18-26(19-13-23)30(5)6/h7-8,10-20H,9H2,1-6H3
InChIKeyMFFIPSZLDZQTRF-UHFFFAOYSA-N
XLogP5.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
CID 5382979
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 10908911
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
2-[[4-(dimethylamino)phenyl]methyl]prop-2-enal
CID 118953189
4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 21400951
[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanethione
CID 2140180
4-(2-bromoprop-2-enyl)-N,N-dimethylaniline
CID 24721880
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline (CID 11101418) is 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline is CN(C)c1ccc(CC=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline?
The InChIKey is MFFIPSZLDZQTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3/c1-28(2)24-14-7-21(8-15-24)9-20-27(22-10-16-25(17-11-22)29(3)4)23-12-18-26(19-13-23)30(5)6/h7-8,10-20H,9H2,1-6H3.
What are the key properties of 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline?
4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline has a molecular weight of 399.58 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 11101418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).