1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C17H22N2O2 — CID 115377842

IUPAC1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1ccccc1OCCNc1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-19(2)15-8-6-7-14(13-15)18-11-12-21-17-10-5-4-9-16(17)20-3/h4-10,13,18H,11-12H2,1-3H3
InChIKeyMMTROCCIDAEXCR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.25
Rot. Bonds7

About 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115377842) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115377842
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCOc1ccccc1OCCNc1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-19(2)15-8-6-7-14(13-15)18-11-12-21-17-10-5-4-9-16(17)20-3/h4-10,13,18H,11-12H2,1-3H3
InChIKeyMMTROCCIDAEXCR-UHFFFAOYSA-N
XLogP3.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712
3-bromo-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 55093133
N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
CID 54803252
1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 103179316
3-bromo-5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 82861158
3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 115377786
1-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913928
N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
methyl 3-[3-(dimethylamino)anilino]propanoate
CID 80504001
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913927
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
CID 62573032
4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 54799245

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115377842) is 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is COc1ccccc1OCCNc1cccc(N(C)C)c1.
What is the InChIKey of 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is MMTROCCIDAEXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(2)15-8-6-7-14(13-15)18-11-12-21-17-10-5-4-9-16(17)20-3/h4-10,13,18H,11-12H2,1-3H3.
What are the key properties of 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115377842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).