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

C15H26N2 — CID 115136246

IUPAC1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCc1ccc(CCN(C)CC(C)(C)N)c(C)c1
InChIInChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17(5)11-15(3,4)16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyYZRHNDBHXPQBAS-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.52
Rot. Bonds5

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

1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115136246) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115136246
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCc1ccc(CCN(C)CC(C)(C)N)c(C)c1
InChIInChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17(5)11-15(3,4)16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyYZRHNDBHXPQBAS-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136256
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905
1-N,2-dimethyl-1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propane-1,2-diamine
CID 115136280
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
CID 115259627
1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136311
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136234
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132012
4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
CID 115123138

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115136246) is 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is Cc1ccc(CCN(C)CC(C)(C)N)c(C)c1.
What is the InChIKey of 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is YZRHNDBHXPQBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-6-7-14(13(2)10-12)8-9-17(5)11-15(3,4)16/h6-7,10H,8-9,11,16H2,1-5H3.
What are the key properties of 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115136246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).