2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine

C17H22N2 — CID 62549654

IUPAC2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
SMILESCc1cc(C)c(CN(C)c2ccccc2N)c(C)c1
InChIInChI=1S/C17H22N2/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h5-10H,11,18H2,1-4H3
InChIKeyHECMGANWJBMJOK-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.83
Rot. Bonds3

About 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine

2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine (PubChem CID 62549654) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
PubChem CID62549654
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
SMILESCc1cc(C)c(CN(C)c2ccccc2N)c(C)c1
InChIInChI=1S/C17H22N2/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h5-10H,11,18H2,1-4H3
InChIKeyHECMGANWJBMJOK-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 13751
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CID 24180706
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CID 16760588
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CID 16288
CID 16288
CID 2823735
CID 2823735
CID 2845633
CID 2845633
CID 15723897
CID 15723897
CID 23656445
CID 23656445
CID 44435744
CID 44435744
CID 60196079
CID 60196079
CID 60196080
CID 60196080
CID 118713768
CID 118713768

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine (CID 62549654) is 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine is Cc1cc(C)c(CN(C)c2ccccc2N)c(C)c1.
What is the InChIKey of 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is HECMGANWJBMJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h5-10H,11,18H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine?
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 62549654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).