1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine

C18H24N2 — CID 117041145

IUPAC1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
SMILESCNc1cccc(N(C)Cc2ccc(C)c(C)c2C)c1
InChIInChI=1S/C18H24N2/c1-13-9-10-16(15(3)14(13)2)12-20(5)18-8-6-7-17(11-18)19-4/h6-11,19H,12H2,1-5H3
InChIKeyGZEYHMWGLQFOKC-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.29
Rot. Bonds4

About 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine

1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine (PubChem CID 117041145) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
PubChem CID117041145
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
SMILESCNc1cccc(N(C)Cc2ccc(C)c(C)c2C)c1
InChIInChI=1S/C18H24N2/c1-13-9-10-16(15(3)14(13)2)12-20(5)18-8-6-7-17(11-18)19-4/h6-11,19H,12H2,1-5H3
InChIKeyGZEYHMWGLQFOKC-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine
CID 117041457
1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 117028923
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028936
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155
3-N-methyl-3-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117040974
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 117041448
2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115126395
3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028957
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041162
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine (CID 117041145) is 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine is CNc1cccc(N(C)Cc2ccc(C)c(C)c2C)c1.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine?
The InChIKey is GZEYHMWGLQFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-9-10-16(15(3)14(13)2)12-20(5)18-8-6-7-17(11-18)19-4/h6-11,19H,12H2,1-5H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine?
1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 117041145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).