2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine

C12H20N2 — CID 55263892

IUPAC2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCc1ccc(N(C)C(C)CN)cc1C
InChIInChI=1S/C12H20N2/c1-9-5-6-12(7-10(9)2)14(4)11(3)8-13/h5-7,11H,8,13H2,1-4H3
InChIKeyDMFZTYIJXMQBMW-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.09
Rot. Bonds3

About 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine

2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 55263892) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID55263892
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCc1ccc(N(C)C(C)CN)cc1C
InChIInChI=1S/C12H20N2/c1-9-5-6-12(7-10(9)2)14(4)11(3)8-13/h5-7,11H,8,13H2,1-4H3
InChIKeyDMFZTYIJXMQBMW-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine
CID 82021074
N,3,4-trimethyl-N-propan-2-ylaniline
CID 117043839
2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 82021046
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 62128610
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039939
1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
CID 62910764
2-N-(1,3-benzoxazol-6-yl)-2-N-methylpropane-1,2-diamine
CID 117039932
N,N,3,4-tetramethylaniline
CID 12595466

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine (CID 55263892) is 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine is Cc1ccc(N(C)C(C)CN)cc1C.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is DMFZTYIJXMQBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-5-6-12(7-10(9)2)14(4)11(3)8-13/h5-7,11H,8,13H2,1-4H3.
What are the key properties of 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine?
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55263892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).