2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline

C18H24N2 — CID 115212078

IUPAC2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline
SMILESCNc1cccc(CNc2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C18H24N2/c1-12-9-13(2)15(4)18(14(12)3)20-11-16-7-6-8-17(10-16)19-5/h6-10,19-20H,11H2,1-5H3
InChIKeyTWFAZGJYBBRUJY-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.57
Rot. Bonds4

About 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline

2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline (PubChem CID 115212078) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline
PubChem CID115212078
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline
SMILESCNc1cccc(CNc2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C18H24N2/c1-12-9-13(2)15(4)18(14(12)3)20-11-16-7-6-8-17(10-16)19-5/h6-10,19-20H,11H2,1-5H3
InChIKeyTWFAZGJYBBRUJY-UHFFFAOYSA-N
XLogP4.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
CID 116925902
3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
CID 115212181
3-(bromomethyl)-N-methylaniline
CID 147410245
3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116925863
3-(methoxymethyl)-N-methylaniline
CID 23080905
1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine
CID 115212085
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159
3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
N-methyl-3-(methylperoxymethyl)aniline
CID 20699956
3-[[4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilino]methyl]phenol
CID 59364838

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline?
The IUPAC name of 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline (CID 115212078) is 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline is CNc1cccc(CNc2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline?
The InChIKey is TWFAZGJYBBRUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-9-13(2)15(4)18(14(12)3)20-11-16-7-6-8-17(10-16)19-5/h6-10,19-20H,11H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline?
2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline is sourced from PubChem (CID 115212078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).