3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline

C19H26N2 — CID 43435749

IUPAC3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccc(CNc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)18-10-8-16(9-11-18)13-20-19-7-5-6-17(12-19)14-21(3)4/h5-12,15,20H,13-14H2,1-4H3
InChIKeyONUKPIVENCSYHD-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.48
Rot. Bonds6

About 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline

3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 43435749) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
PubChem CID43435749
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccc(CNc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)18-10-8-16(9-11-18)13-20-19-7-5-6-17(12-19)14-21(3)4/h5-12,15,20H,13-14H2,1-4H3
InChIKeyONUKPIVENCSYHD-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Desipramine
CID 2995
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Desipramine Hydrochloride
CID 65327
Leucocrystal Violet
CID 69048
N-ethyl-3-methylaniline
CID 7603
N-Ethyl-N-benzylaniline
CID 7098
N-(3-Methylphenyl)aniline
CID 14569
N,N,N',N'-Tetramethylbenzidine
CID 9702
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline (CID 43435749) is 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline is CC(C)c1ccc(CNc2cccc(CN(C)C)c2)cc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is ONUKPIVENCSYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(2)18-10-8-16(9-11-18)13-20-19-7-5-6-17(12-19)14-21(3)4/h5-12,15,20H,13-14H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline?
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 282.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 43435749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).