4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline

C23H27N3 — CID 59157450

IUPAC4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline
SMILESCNCc1ccc(C(N)(c2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H27N3/c1-25-17-18-9-11-20(12-10-18)23(24,19-7-5-4-6-8-19)21-13-15-22(16-14-21)26(2)3/h4-16,25H,17,24H2,1-3H3
InChIKeyORPYUIWJJIDTNF-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.72
Rot. Bonds6

About 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline

4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline (PubChem CID 59157450) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline
PubChem CID59157450
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline
SMILESCNCc1ccc(C(N)(c2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H27N3/c1-25-17-18-9-11-20(12-10-18)23(24,19-7-5-4-6-8-19)21-13-15-22(16-14-21)26(2)3/h4-16,25H,17,24H2,1-3H3
InChIKeyORPYUIWJJIDTNF-UHFFFAOYSA-N
XLogP3.72
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

borane;N-methyl-1-phenylmethanamine
CID 134979061
N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
CID 153497957
4-[4-[4-(dimethylamino)phenyl]-1,4-bis[4-(methylaminomethyl)phenyl]cyclohexyl]-N,N-dimethylaniline
CID 153497949
4-[2-[4-(dimethylamino)phenyl]-6-[4-(methylaminomethyl)phenyl]-4-pyridinyl]-N,N-diphenylaniline
CID 122424762
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
CID 70469901
N-methyl-1-phenylmethanamine;N-methyl-4-(trifluoromethyl)aniline
CID 143206265
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
CID 69241188
CID 69241188

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline (CID 59157450) is 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline is CNCc1ccc(C(N)(c2ccccc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline?
The InChIKey is ORPYUIWJJIDTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-25-17-18-9-11-20(12-10-18)23(24,19-7-5-4-6-8-19)21-13-15-22(16-14-21)26(2)3/h4-16,25H,17,24H2,1-3H3.
What are the key properties of 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline?
4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline has a molecular weight of 345.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 59157450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).