[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine

C17H21NO2 — CID 62548525

IUPAC[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2cccc(C)c2C)cc1OC
InChIInChI=1S/C17H21NO2/c1-11-6-5-7-14(12(11)2)15-9-17(20-4)16(19-3)8-13(15)10-18/h5-9H,10,18H2,1-4H3
InChIKeyNTOLWWCJJVZCJW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.45
Rot. Bonds4

About [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine

[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine (PubChem CID 62548525) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
PubChem CID62548525
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCOc1cc(CN)c(-c2cccc(C)c2C)cc1OC
InChIInChI=1S/C17H21NO2/c1-11-6-5-7-14(12(11)2)15-9-17(20-4)16(19-3)8-13(15)10-18/h5-9H,10,18H2,1-4H3
InChIKeyNTOLWWCJJVZCJW-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62800398
[2-(2-chloro-4-fluoro-5-methylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 81047763
1,4-bis(2,6-dimethylphenyl)-2,5-dimethoxybenzene
CID 156631925
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
[2-(2-fluoro-4,6-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 106882238
[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 61033908
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
CID 104738859
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105350062
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
CID 62549550

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The IUPAC name of [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine (CID 62548525) is [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine is COc1cc(CN)c(-c2cccc(C)c2C)cc1OC.
What is the InChIKey of [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine?
The InChIKey is NTOLWWCJJVZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-6-5-7-14(12(11)2)15-9-17(20-4)16(19-3)8-13(15)10-18/h5-9H,10,18H2,1-4H3.
What are the key properties of [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine?
[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 62548525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).