2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine

C14H24N2 — CID 115132012

IUPAC2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCc1ccc(CN(C)C(C)(C)CN)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-6-7-13(12(2)8-11)9-16(5)14(3,4)10-15/h6-8H,9-10,15H2,1-5H3
InChIKeyRTQFMYCFWMVIAT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.47
Rot. Bonds4

About 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine

2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132012) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115132012
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCc1ccc(CN(C)C(C)(C)CN)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-6-7-13(12(2)8-11)9-16(5)14(3,4)10-15/h6-8H,9-10,15H2,1-5H3
InChIKeyRTQFMYCFWMVIAT-UHFFFAOYSA-N
XLogP2.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132235
[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213236
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
2-N-[(2-chlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 28759320
2-[(4-bromo-2-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882426
2-[(2-bromo-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882400
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246
2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 102879133
N'-hydroxy-3-methyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 114482615
2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 66361139
2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250371

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115132012) is 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is Cc1ccc(CN(C)C(C)(C)CN)c(C)c1.
What is the InChIKey of 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is RTQFMYCFWMVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-7-13(12(2)8-11)9-16(5)14(3,4)10-15/h6-8H,9-10,15H2,1-5H3.
What are the key properties of 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).