3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline

C16H20N2 — CID 116936668

IUPAC3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2ccc(C)cc2C)c1
InChIInChI=1S/C16H20N2/c1-11-7-8-15(12(2)9-11)16(17)13-5-4-6-14(10-13)18-3/h4-10,16,18H,17H2,1-3H3
InChIKeyBKGCDBZDBLNWDY-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.39
Rot. Bonds3

About 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline

3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline (PubChem CID 116936668) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline
PubChem CID116936668
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2ccc(C)cc2C)c1
InChIInChI=1S/C16H20N2/c1-11-7-8-15(12(2)9-11)16(17)13-5-4-6-14(10-13)18-3/h4-10,16,18H,17H2,1-3H3
InChIKeyBKGCDBZDBLNWDY-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
CID 116936708
3-[amino-(2-bromophenyl)methyl]-N-methylaniline
CID 116936726
(R)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500831
(S)-(2,4-dimethylphenyl)-(3-methylsulfonylphenyl)methanamine
CID 28500829
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
CID 116936685
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
CID 116936648

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline?
The IUPAC name of 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline (CID 116936668) is 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline is CNc1cccc(C(N)c2ccc(C)cc2C)c1.
What is the InChIKey of 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline?
The InChIKey is BKGCDBZDBLNWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-7-8-15(12(2)9-11)16(17)13-5-4-6-14(10-13)18-3/h4-10,16,18H,17H2,1-3H3.
What are the key properties of 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline?
3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116936668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).