4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline

C32H35N3 — CID 144813865

IUPAC4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline
SMILESC=Cc1ccc(CNc2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C32H35N3/c1-6-24-7-9-25(10-8-24)23-33-29-17-11-26(12-18-29)32(27-13-19-30(20-14-27)34(2)3)28-15-21-31(22-16-28)35(4)5/h6-22,32-33H,1,23H2,2-5H3
InChIKeyBYNSSLOHATZWIS-UHFFFAOYSA-N
MW461.65 g/mol
LogP7.25
Rot. Bonds9

About 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline

4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline (PubChem CID 144813865) has the molecular formula C32H35N3 and a molecular weight of 461.65 g/mol. Its IUPAC name is 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline
PubChem CID144813865
Molecular FormulaC32H35N3
Molecular Weight461.65 g/mol
Exact Mass461.28
IUPAC Name4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline
SMILESC=Cc1ccc(CNc2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C32H35N3/c1-6-24-7-9-25(10-8-24)23-33-29-17-11-26(12-18-29)32(27-13-19-30(20-14-27)34(2)3)28-15-21-31(22-16-28)35(4)5/h6-22,32-33H,1,23H2,2-5H3
InChIKeyBYNSSLOHATZWIS-UHFFFAOYSA-N
XLogP7.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline
CID 70462536
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 175171618
4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine
CID 63050848
N-[[4-(dimethylamino)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43823690
1-N-[(4-bromo-3-methylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 66472389
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328

Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline?
The IUPAC name of 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline (CID 144813865) is 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline.
What is the SMILES notation for 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline?
The canonical SMILES for 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline is C=Cc1ccc(CNc2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1.
What is the InChIKey of 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline?
The InChIKey is BYNSSLOHATZWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3/c1-6-24-7-9-25(10-8-24)23-33-29-17-11-26(12-18-29)32(27-13-19-30(20-14-27)34(2)3)28-15-21-31(22-16-28)35(4)5/h6-22,32-33H,1,23H2,2-5H3.
What are the key properties of 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline?
4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline has a molecular weight of 461.65 g/mol, XLogP of 7.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline is sourced from PubChem (CID 144813865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).