4-[(dimethylamino)methyl]-2-methoxyaniline

C10H16N2O — CID 22046286

IUPAC4-[(dimethylamino)methyl]-2-methoxyaniline
SMILESCOc1cc(CN(C)C)ccc1N
InChIInChI=1S/C10H16N2O/c1-12(2)7-8-4-5-9(11)10(6-8)13-3/h4-6H,7,11H2,1-3H3
InChIKeyDPQIBVKVVGXAPI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.34
Rot. Bonds3

About 4-[(dimethylamino)methyl]-2-methoxyaniline

4-[(dimethylamino)methyl]-2-methoxyaniline (PubChem CID 22046286) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2-methoxyaniline
PubChem CID22046286
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[(dimethylamino)methyl]-2-methoxyaniline
SMILESCOc1cc(CN(C)C)ccc1N
InChIInChI=1S/C10H16N2O/c1-12(2)7-8-4-5-9(11)10(6-8)13-3/h4-6H,7,11H2,1-3H3
InChIKeyDPQIBVKVVGXAPI-UHFFFAOYSA-N
XLogP1.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2-methoxyaniline?
The IUPAC name of 4-[(dimethylamino)methyl]-2-methoxyaniline (CID 22046286) is 4-[(dimethylamino)methyl]-2-methoxyaniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2-methoxyaniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-2-methoxyaniline is COc1cc(CN(C)C)ccc1N.
What is the InChIKey of 4-[(dimethylamino)methyl]-2-methoxyaniline?
The InChIKey is DPQIBVKVVGXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)7-8-4-5-9(11)10(6-8)13-3/h4-6H,7,11H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-2-methoxyaniline?
4-[(dimethylamino)methyl]-2-methoxyaniline has a molecular weight of 180.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2-methoxyaniline is sourced from PubChem (CID 22046286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).