N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline

C16H19NO2 — CID 784077

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
SMILESCOc1cccc(CNc2cccc(C)c2)c1OC
InChIInChI=1S/C16H19NO2/c1-12-6-4-8-14(10-12)17-11-13-7-5-9-15(18-2)16(13)19-3/h4-10,17H,11H2,1-3H3
InChIKeyOIYOSGGPHPVANQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline

N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline (PubChem CID 784077) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
PubChem CID784077
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
SMILESCOc1cccc(CNc2cccc(C)c2)c1OC
InChIInChI=1S/C16H19NO2/c1-12-6-4-8-14(10-12)17-11-13-7-5-9-15(18-2)16(13)19-3/h4-10,17H,11H2,1-3H3
InChIKeyOIYOSGGPHPVANQ-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 82761585
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 39386959
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline
CID 126122280
N-[(2,3-dimethoxyphenyl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 78882897
3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775203
N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
CID 628339
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline (CID 784077) is N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline is COc1cccc(CNc2cccc(C)c2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline?
The InChIKey is OIYOSGGPHPVANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-6-4-8-14(10-12)17-11-13-7-5-9-15(18-2)16(13)19-3/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline?
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline is sourced from PubChem (CID 784077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).