2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine

C15H26N2 — CID 115136210

IUPAC2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine
SMILESCc1ccc(CCNCC(C)(C)N)c(C)c1C
InChIInChI=1S/C15H26N2/c1-11-6-7-14(13(3)12(11)2)8-9-17-10-15(4,5)16/h6-7,17H,8-10,16H2,1-5H3
InChIKeyMFDLVCRETOVYTA-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.48
Rot. Bonds5

About 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine

2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine (PubChem CID 115136210) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine
PubChem CID115136210
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine
SMILESCc1ccc(CCNCC(C)(C)N)c(C)c1C
InChIInChI=1S/C15H26N2/c1-11-6-7-14(13(3)12(11)2)8-9-17-10-15(4,5)16/h6-7,17H,8-10,16H2,1-5H3
InChIKeyMFDLVCRETOVYTA-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanenitrile
CID 115234277
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
1-[2-(2,3,4-trimethylphenyl)ethylamino]propan-2-one
CID 115235084
2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136129
4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol
CID 98016298
2,2-dimethyl-N-[(2,3,4-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204464
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
2,2-dimethyl-4-(2,3,4-trimethylphenyl)butanoic acid
CID 116926970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine (CID 115136210) is 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine is Cc1ccc(CCNCC(C)(C)N)c(C)c1C.
What is the InChIKey of 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine?
The InChIKey is MFDLVCRETOVYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-6-7-14(13(3)12(11)2)8-9-17-10-15(4,5)16/h6-7,17H,8-10,16H2,1-5H3.
What are the key properties of 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine?
2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115136210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).