3-methoxy-2-[(2-methoxyphenyl)methyl]aniline

C15H17NO2 — CID 13379479

IUPAC3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1Cc1c(N)cccc1OC
InChIInChI=1S/C15H17NO2/c1-17-14-8-4-3-6-11(14)10-12-13(16)7-5-9-15(12)18-2/h3-9H,10,16H2,1-2H3
InChIKeyJYQKDERZLAINCJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.88
Rot. Bonds4

About 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline

3-methoxy-2-[(2-methoxyphenyl)methyl]aniline (PubChem CID 13379479) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
PubChem CID13379479
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1Cc1c(N)cccc1OC
InChIInChI=1S/C15H17NO2/c1-17-14-8-4-3-6-11(14)10-12-13(16)7-5-9-15(12)18-2/h3-9H,10,16H2,1-2H3
InChIKeyJYQKDERZLAINCJ-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70555018
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2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene
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6-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 96614912
(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
CID 10227540
4-chloro-2-[(2-methoxyphenyl)methyl]aniline
CID 68567469
2-methoxyaniline;dihydrochloride
CID 69020746
[2-[(2-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335207
2-(1λ3-iodiran-1-yliodanuidylmethyl)-3-methoxyaniline
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2-methoxyaniline;titanium;trihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline (CID 13379479) is 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline is COc1ccccc1Cc1c(N)cccc1OC.
What is the InChIKey of 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is JYQKDERZLAINCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-14-8-4-3-6-11(14)10-12-13(16)7-5-9-15(12)18-2/h3-9H,10,16H2,1-2H3.
What are the key properties of 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline?
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline has a molecular weight of 243.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 13379479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).