1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine

C14H24N2 — CID 115136100

IUPAC1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
SMILESCc1ccc(C)c(CCNCC(C)(C)N)c1
InChIInChI=1S/C14H24N2/c1-11-5-6-12(2)13(9-11)7-8-16-10-14(3,4)15/h5-6,9,16H,7-8,10,15H2,1-4H3
InChIKeyRRZNYOYSWYZTDH-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.17
Rot. Bonds5

About 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine

1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine (PubChem CID 115136100) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
PubChem CID115136100
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
SMILESCc1ccc(C)c(CCNCC(C)(C)N)c1
InChIInChI=1S/C14H24N2/c1-11-5-6-12(2)13(9-11)7-8-16-10-14(3,4)15/h5-6,9,16H,7-8,10,15H2,1-4H3
InChIKeyRRZNYOYSWYZTDH-UHFFFAOYSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.17
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-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136210
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136129
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202717
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
2-[[2-(2,5-dimethylphenyl)ethylamino]methyl]-3-methylbutanenitrile
CID 115254611
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine (CID 115136100) is 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine is Cc1ccc(C)c(CCNCC(C)(C)N)c1.
What is the InChIKey of 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine?
The InChIKey is RRZNYOYSWYZTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-5-6-12(2)13(9-11)7-8-16-10-14(3,4)15/h5-6,9,16H,7-8,10,15H2,1-4H3.
What are the key properties of 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine?
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115136100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).