1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine

C14H24N2O2 — CID 116950345

IUPAC1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C14H24N2O2/c1-6-16-9-12(15-3)11-7-8-13(17-4)10(2)14(11)18-5/h7-8,12,15-16H,6,9H2,1-5H3
InChIKeyDWXUIGDWJWUGAX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.88
Rot. Bonds7

About 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine

1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 116950345) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID116950345
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C14H24N2O2/c1-6-16-9-12(15-3)11-7-8-13(17-4)10(2)14(11)18-5/h7-8,12,15-16H,6,9H2,1-5H3
InChIKeyDWXUIGDWJWUGAX-UHFFFAOYSA-N
XLogP1.88
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950339
N'-ethyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950402
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950303
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
2-ethoxy-N-methyl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 105008034
N'-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)ethane-1,2-diamine
CID 116950342
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine (CID 116950345) is 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine is CCNCC(NC)c1ccc(OC)c(C)c1OC.
What is the InChIKey of 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is DWXUIGDWJWUGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-16-9-12(15-3)11-7-8-13(17-4)10(2)14(11)18-5/h7-8,12,15-16H,6,9H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine?
1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-methylphenyl)-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116950345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).