1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine

C17H22N2O — CID 65378155

IUPAC1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2cccc(C)c2C)c1
InChIInChI=1S/C17H22N2O/c1-12-6-4-9-16(13(12)2)17(11-18)19-14-7-5-8-15(10-14)20-3/h4-10,17,19H,11,18H2,1-3H3
InChIKeyZBDKXOMJZLJZJX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine

1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65378155) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID65378155
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2cccc(C)c2C)c1
InChIInChI=1S/C17H22N2O/c1-12-6-4-9-16(13(12)2)17(11-18)19-14-7-5-8-15(10-14)20-3/h4-10,17,19H,11,18H2,1-3H3
InChIKeyZBDKXOMJZLJZJX-UHFFFAOYSA-N
XLogP3.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382748
1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65376485
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 65379203
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119415
1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377367
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (CID 65378155) is 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is COc1cccc(NC(CN)c2cccc(C)c2C)c1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is ZBDKXOMJZLJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-6-4-9-16(13(12)2)17(11-18)19-14-7-5-8-15(10-14)20-3/h4-10,17,19H,11,18H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65378155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).