4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline

C24H28N2 — CID 162662144

IUPAC4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H28N2/c1-26(2)23-15-13-20(14-16-23)19-25-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,24-25H,17-19H2,1-2H3
InChIKeySDANAHQJBLSLLG-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.06
Rot. Bonds8

About 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline

4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline (PubChem CID 162662144) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline
PubChem CID162662144
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H28N2/c1-26(2)23-15-13-20(14-16-23)19-25-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,24-25H,17-19H2,1-2H3
InChIKeySDANAHQJBLSLLG-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]amino]methyl]-N,N-dimethylaniline
CID 3149165
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
N,N-dimethyl-4-[(3-methylsulfinylbutylamino)methyl]aniline
CID 115711614
4-[[[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]amino]methyl]-N,N-dimethylaniline
CID 7110204
4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol
CID 103876190
4-[[[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]amino]methyl]-N,N-dimethylaniline
CID 3792586
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
CID 17290940
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983
N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline
CID 39337165
N,N-dimethyl-4-[[[(E)-pent-3-enyl]amino]methyl]aniline
CID 115629178

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline (CID 162662144) is 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline?
The InChIKey is SDANAHQJBLSLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-26(2)23-15-13-20(14-16-23)19-25-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,24-25H,17-19H2,1-2H3.
What are the key properties of 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline?
4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline has a molecular weight of 344.50 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 162662144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).