2-[(dibenzylamino)methyl]-4-methylaniline

C22H24N2 — CID 130159961

IUPAC2-[(dibenzylamino)methyl]-4-methylaniline
SMILESCc1ccc(N)c(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H24N2/c1-18-12-13-22(23)21(14-18)17-24(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14H,15-17,23H2,1H3
InChIKeyZEXWILVPOAEADF-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.78
Rot. Bonds6

About 2-[(dibenzylamino)methyl]-4-methylaniline

2-[(dibenzylamino)methyl]-4-methylaniline (PubChem CID 130159961) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[(dibenzylamino)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-[(dibenzylamino)methyl]-4-methylaniline
PubChem CID130159961
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name2-[(dibenzylamino)methyl]-4-methylaniline
SMILESCc1ccc(N)c(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H24N2/c1-18-12-13-22(23)21(14-18)17-24(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14H,15-17,23H2,1H3
InChIKeyZEXWILVPOAEADF-UHFFFAOYSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(3-phenylpropyl)aniline
CID 67787992
N-benzyl-2-bromo-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 80679693
2-[(benzylamino)methyl]-4-methylaniline
CID 12628937
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
N-benzyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1-phenylmethanamine
CID 122227712
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
2-[(dibenzylamino)methyl]-4,5-dimethylphenol
CID 71582739
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
(E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine
CID 102314157
N-[(4-methylphenyl)methyl]-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 118070261
2-amino-4-[(dibenzylamino)methyl]phenol
CID 130157268
N-benzyl-N-[(2-bromo-5-methylphenyl)methyl]prop-2-enamide
CID 168864443

Frequently Asked Questions

What is the IUPAC name of 2-[(dibenzylamino)methyl]-4-methylaniline?
The IUPAC name of 2-[(dibenzylamino)methyl]-4-methylaniline (CID 130159961) is 2-[(dibenzylamino)methyl]-4-methylaniline.
What is the SMILES notation for 2-[(dibenzylamino)methyl]-4-methylaniline?
The canonical SMILES for 2-[(dibenzylamino)methyl]-4-methylaniline is Cc1ccc(N)c(CN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 2-[(dibenzylamino)methyl]-4-methylaniline?
The InChIKey is ZEXWILVPOAEADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-18-12-13-22(23)21(14-18)17-24(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14H,15-17,23H2,1H3.
What are the key properties of 2-[(dibenzylamino)methyl]-4-methylaniline?
2-[(dibenzylamino)methyl]-4-methylaniline has a molecular weight of 316.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dibenzylamino)methyl]-4-methylaniline is sourced from PubChem (CID 130159961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).