N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C11H18N2 — CID 20780242

IUPACN'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCN)c(C)c1
InChIInChI=1S/C11H18N2/c1-8-6-9(2)11(10(3)7-8)13-5-4-12/h6-7,13H,4-5,12H2,1-3H3
InChIKeyDDTLUYCURNSZFH-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.98
Rot. Bonds3

About N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 20780242) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID20780242
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCN)c(C)c1
InChIInChI=1S/C11H18N2/c1-8-6-9(2)11(10(3)7-8)13-5-4-12/h6-7,13H,4-5,12H2,1-3H3
InChIKeyDDTLUYCURNSZFH-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
CID 63448276
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808827
N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 18441321
gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
CID 173020259
N'-(4-tert-butyl-2,6-dimethylphenyl)butane-1,4-diamine
CID 115201007
N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine
CID 154218779
N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
CID 102975622
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
N-ethyl-2,4,6-trimethylaniline;trichlorocobalt
CID 175492327
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641

Frequently Asked Questions

What is the IUPAC name of N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 20780242) is N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(NCCN)c(C)c1.
What is the InChIKey of N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is DDTLUYCURNSZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-6-9(2)11(10(3)7-8)13-5-4-12/h6-7,13H,4-5,12H2,1-3H3.
What are the key properties of N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 20780242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).