[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine

C17H21NO3 — CID 62800398

IUPAC[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCCOc1ccccc1-c1cc(OC)c(OC)cc1CN
InChIInChI=1S/C17H21NO3/c1-4-21-15-8-6-5-7-13(15)14-10-17(20-3)16(19-2)9-12(14)11-18/h5-10H,4,11,18H2,1-3H3
InChIKeyCHWOJJBETKJCDF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.23
Rot. Bonds6

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

[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine (PubChem CID 62800398) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
PubChem CID62800398
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
SMILESCCOc1ccccc1-c1cc(OC)c(OC)cc1CN
InChIInChI=1S/C17H21NO3/c1-4-21-15-8-6-5-7-13(15)14-10-17(20-3)16(19-2)9-12(14)11-18/h5-10H,4,11,18H2,1-3H3
InChIKeyCHWOJJBETKJCDF-UHFFFAOYSA-N
XLogP3.23
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62548525
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 61033908
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine
CID 115534586
1-(2-ethoxyphenyl)-2-methoxy-4-prop-2-enylbenzene
CID 170842008
2-(2-ethoxyphenyl)-5-methylaniline
CID 82766449
methyl 5-amino-2-(2-ethoxyphenyl)benzoate
CID 168665379
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
CID 104738859

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine?
The IUPAC name of [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine (CID 62800398) is [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine?
The canonical SMILES for [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine is CCOc1ccccc1-c1cc(OC)c(OC)cc1CN.
What is the InChIKey of [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine?
The InChIKey is CHWOJJBETKJCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-21-15-8-6-5-7-13(15)14-10-17(20-3)16(19-2)9-12(14)11-18/h5-10H,4,11,18H2,1-3H3.
What are the key properties of [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine?
[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine is sourced from PubChem (CID 62800398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).