3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine

C17H22N2 — CID 115376609

IUPAC3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
SMILESCc1ccccc1CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C17H22N2/c1-13-7-5-6-8-15(13)12-18-16-10-9-14(2)17(11-16)19(3)4/h5-11,18H,12H2,1-4H3
InChIKeyHXUUTKPEULAHDJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.98
Rot. Bonds4

About 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine (PubChem CID 115376609) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
PubChem CID115376609
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
SMILESCc1ccccc1CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C17H22N2/c1-13-7-5-6-8-15(13)12-18-16-10-9-14(2)17(11-16)19(3)4/h5-11,18H,12H2,1-4H3
InChIKeyHXUUTKPEULAHDJ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
1-N-(1-benzothiophen-3-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377092
1-N-[(2-methoxy-3-pyridinyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378060
1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376832
3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376878
1-N-[(3,5-dichlorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376970
3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377244
3-N,3-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzene-1,3-diamine
CID 115376869
3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377275
4-[[3-(dimethylamino)-4-methylanilino]methyl]-5-methylthiophene-2-carboxylic acid
CID 103260528
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine (CID 115376609) is 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine is Cc1ccccc1CNc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine?
The InChIKey is HXUUTKPEULAHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-7-5-6-8-15(13)12-18-16-10-9-14(2)17(11-16)19(3)4/h5-11,18H,12H2,1-4H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 115376609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).