2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline

C17H22N2 — CID 18699529

IUPAC2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(Cc2cc(C)cc(C)c2N)c1
InChIInChI=1S/C17H22N2/c1-10-5-12(3)16(18)14(7-10)9-15-8-11(2)6-13(4)17(15)19/h5-8H,9,18-19H2,1-4H3
InChIKeyMAUWEKGDVIGQJT-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.68
Rot. Bonds2

About 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline

2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline (PubChem CID 18699529) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
PubChem CID18699529
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
SMILESCc1cc(C)c(N)c(Cc2cc(C)cc(C)c2N)c1
InChIInChI=1S/C17H22N2/c1-10-5-12(3)16(18)14(7-10)9-15-8-11(2)6-13(4)17(15)19/h5-8H,9,18-19H2,1-4H3
InChIKeyMAUWEKGDVIGQJT-UHFFFAOYSA-N
XLogP3.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cobalt;2,4,6-trimethylaniline
CID 159454360
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
N,N-dideuterio-2,4,6-trimethylaniline
CID 138396120
2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473623
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane
CID 143122618
4-[(4-amino-3,5-diethylphenyl)methyl]-2-ethyl-6-methylaniline;4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline;4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline
CID 158632790
2,4-dimethyl-6-thionitrosoaniline
CID 123917345
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
CID 157177077
1-(2-amino-3,5-dimethylphenyl)-2-methylpropan-1-one
CID 10797797
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline?
The IUPAC name of 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline (CID 18699529) is 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline.
What is the SMILES notation for 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline?
The canonical SMILES for 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline is Cc1cc(C)c(N)c(Cc2cc(C)cc(C)c2N)c1.
What is the InChIKey of 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline?
The InChIKey is MAUWEKGDVIGQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-10-5-12(3)16(18)14(7-10)9-15-8-11(2)6-13(4)17(15)19/h5-8H,9,18-19H2,1-4H3.
What are the key properties of 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline?
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline has a molecular weight of 254.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline is sourced from PubChem (CID 18699529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).