4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

C31H43N3 — CID 15131768

IUPAC4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCCCCN(CCCC)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C31H43N3/c1-7-9-23-34(24-10-8-2)30-21-15-27(16-22-30)31(25-11-17-28(18-12-25)32(3)4)26-13-19-29(20-14-26)33(5)6/h11-22,31H,7-10,23-24H2,1-6H3
InChIKeyICFRCLUUPRDGAA-UHFFFAOYSA-N
MW457.71 g/mol
LogP7.41
Rot. Bonds12

About 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (PubChem CID 15131768) has the molecular formula C31H43N3 and a molecular weight of 457.71 g/mol. Its IUPAC name is 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
PubChem CID15131768
Molecular FormulaC31H43N3
Molecular Weight457.71 g/mol
Exact Mass457.35
IUPAC Name4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCCCCN(CCCC)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C31H43N3/c1-7-9-23-34(24-10-8-2)30-21-15-27(16-22-30)31(25-11-17-28(18-12-25)32(3)4)26-13-19-29(20-14-26)33(5)6/h11-22,31H,7-10,23-24H2,1-6H3
InChIKeyICFRCLUUPRDGAA-UHFFFAOYSA-N
XLogP7.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.71
LogP ≤ 57.41
H-Bond Donors ≤ 50
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

4-N-[4-[bis[4-(dibutylamino)phenyl]methyl]phenyl]-1-N,1-N-dibutyl-4-N-(4-butylphenyl)benzene-1,4-diamine
CID 22095487
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N,N-dibutyl-4-[[4-(dimethylamino)phenyl]-methoxymethyl]-3-methylaniline
CID 18998076
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
N,N-dibutyl-4-phosphanylaniline
CID 175417850
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
N,N-dibutyl-4-fluoroaniline
CID 15399711
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
N,N-dibutyl-4-[[4-(dimethylamino)phenyl]-(1H-indol-2-yl)methyl]-3-methylaniline
CID 18998057
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
CID 67291446
2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 61446426
1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
CID 114066751

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (CID 15131768) is 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is CCCCN(CCCC)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is ICFRCLUUPRDGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3/c1-7-9-23-34(24-10-8-2)30-21-15-27(16-22-30)31(25-11-17-28(18-12-25)32(3)4)26-13-19-29(20-14-26)33(5)6/h11-22,31H,7-10,23-24H2,1-6H3.
What are the key properties of 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 457.71 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 15131768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).