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

C17H30N2O — CID 62844651

IUPACN'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H30N2O/c1-13-11-15(3)17(12-14(13)2)16(4)18-7-8-19(5)9-10-20-6/h11-12,16,18H,7-10H2,1-6H3
InChIKeyKAWJHDYWULJCPL-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.84
Rot. Bonds8

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

N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 62844651) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine
PubChem CID62844651
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H30N2O/c1-13-11-15(3)17(12-14(13)2)16(4)18-7-8-19(5)9-10-20-6/h11-12,16,18H,7-10H2,1-6H3
InChIKeyKAWJHDYWULJCPL-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenol
CID 55126811
N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55126526
N'-(2-methoxyethyl)-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 55126860
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103903901
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843266
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
N-[3-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenyl]acetamide
CID 62844299
4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
CID 106840594
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 63824975
N'-(2-methoxyethyl)-N'-methyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 55126677
2-methoxy-2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 115728760

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine (CID 62844651) is N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine is COCCN(C)CCNC(C)c1cc(C)c(C)cc1C.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is KAWJHDYWULJCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13-11-15(3)17(12-14(13)2)16(4)18-7-8-19(5)9-10-20-6/h11-12,16,18H,7-10H2,1-6H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62844651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).