1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine

C16H20N2O — CID 106259841

IUPAC1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
SMILESCOc1ccccc1CCNc1ccc(C)cc1N
InChIInChI=1S/C16H20N2O/c1-12-7-8-15(14(17)11-12)18-10-9-13-5-3-4-6-16(13)19-2/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyDSQYZBGBJZFZAC-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds5

About 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine

1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine (PubChem CID 106259841) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
PubChem CID106259841
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
SMILESCOc1ccccc1CCNc1ccc(C)cc1N
InChIInChI=1S/C16H20N2O/c1-12-7-8-15(14(17)11-12)18-10-9-13-5-3-4-6-16(13)19-2/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyDSQYZBGBJZFZAC-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 106259814
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259825
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543
1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine
CID 54377265
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine (CID 106259841) is 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine is COc1ccccc1CCNc1ccc(C)cc1N.
What is the InChIKey of 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine?
The InChIKey is DSQYZBGBJZFZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-8-15(14(17)11-12)18-10-9-13-5-3-4-6-16(13)19-2/h3-8,11,18H,9-10,17H2,1-2H3.
What are the key properties of 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine?
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 106259841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).