N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine

C14H24N2 — CID 116950342

IUPACN'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine
SMILESCCNCC(NC)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H24N2/c1-6-16-9-14(15-5)13-8-11(3)10(2)7-12(13)4/h7-8,14-16H,6,9H2,1-5H3
InChIKeySKTUSXVMZQAWCK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.48
Rot. Bonds5

About N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine

N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine (PubChem CID 116950342) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine
PubChem CID116950342
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine
SMILESCCNCC(NC)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H24N2/c1-6-16-9-14(15-5)13-8-11(3)10(2)7-12(13)4/h7-8,14-16H,6,9H2,1-5H3
InChIKeySKTUSXVMZQAWCK-UHFFFAOYSA-N
XLogP2.48
TPSA24.06 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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950402
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950345
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950339
N,N'-dimethyl-1-(2,4,5-trimethylphenyl)methanediamine
CID 116954358
3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990513
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950303
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 113362151
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine (CID 116950342) is N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine is CCNCC(NC)c1cc(C)c(C)cc1C.
What is the InChIKey of N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is SKTUSXVMZQAWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-16-9-14(15-5)13-8-11(3)10(2)7-12(13)4/h7-8,14-16H,6,9H2,1-5H3.
What are the key properties of N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine?
N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 220.36 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 N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116950342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).