N'-(2,5-dimethylphenyl)ethane-1,2-diamine

C10H16N2 — CID 12666397

IUPACN'-(2,5-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C)c(NCCN)c1
InChIInChI=1S/C10H16N2/c1-8-3-4-9(2)10(7-8)12-6-5-11/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyYBZIXENRCUDMOR-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.67
Rot. Bonds3

About N'-(2,5-dimethylphenyl)ethane-1,2-diamine

N'-(2,5-dimethylphenyl)ethane-1,2-diamine (PubChem CID 12666397) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)ethane-1,2-diamine
PubChem CID12666397
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN'-(2,5-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C)c(NCCN)c1
InChIInChI=1S/C10H16N2/c1-8-3-4-9(2)10(7-8)12-6-5-11/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyYBZIXENRCUDMOR-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
CID 82504176
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
N-[2-(2,5-dimethylanilino)ethyl]acetamide
CID 103604085
N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
CID 3132199
N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline
CID 82294319
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019
2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline
CID 126991741
2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723108
N-[(2-aminophenyl)methyl]-2,5-dimethylaniline
CID 66387234
2,5-dimethyl-N-(4-phenylbutyl)aniline
CID 114333158

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,5-dimethylphenyl)ethane-1,2-diamine (CID 12666397) is N'-(2,5-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,5-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,5-dimethylphenyl)ethane-1,2-diamine is Cc1ccc(C)c(NCCN)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is YBZIXENRCUDMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-3-4-9(2)10(7-8)12-6-5-11/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of N'-(2,5-dimethylphenyl)ethane-1,2-diamine?
N'-(2,5-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 12666397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).