1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine

C19H26N2 — CID 43753470

IUPAC1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H26N2/c1-14-5-8-17(9-6-14)13-21(4)19(12-20)18-10-7-15(2)16(3)11-18/h5-11,19H,12-13,20H2,1-4H3
InChIKeyCEQGQGCLYGTJHY-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.74
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine

1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 43753470) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID43753470
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H26N2/c1-14-5-8-17(9-6-14)13-21(4)19(12-20)18-10-7-15(2)16(3)11-18/h5-11,19H,12-13,20H2,1-4H3
InChIKeyCEQGQGCLYGTJHY-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106817297
N-benzyl-1-(3-fluoro-4-methylphenyl)-N-methylethane-1,2-diamine
CID 63645213
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
1-(3-fluoro-4-methylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 55245764
1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 63470604
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43329248

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine (CID 43753470) is 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccc(CN(C)C(CN)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is CEQGQGCLYGTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14-5-8-17(9-6-14)13-21(4)19(12-20)18-10-7-15(2)16(3)11-18/h5-11,19H,12-13,20H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 43753470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).