2-[(dimethylamino)methyl]-5-methoxyaniline

C10H16N2O — CID 53407611

IUPAC2-[(dimethylamino)methyl]-5-methoxyaniline
SMILESCOc1ccc(CN(C)C)c(N)c1
InChIInChI=1S/C10H16N2O/c1-12(2)7-8-4-5-9(13-3)6-10(8)11/h4-6H,7,11H2,1-3H3
InChIKeyDLARITXSXPMFDZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.34
Rot. Bonds3

About 2-[(dimethylamino)methyl]-5-methoxyaniline

2-[(dimethylamino)methyl]-5-methoxyaniline (PubChem CID 53407611) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-methoxyaniline
PubChem CID53407611
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(dimethylamino)methyl]-5-methoxyaniline
SMILESCOc1ccc(CN(C)C)c(N)c1
InChIInChI=1S/C10H16N2O/c1-12(2)7-8-4-5-9(13-3)6-10(8)11/h4-6H,7,11H2,1-3H3
InChIKeyDLARITXSXPMFDZ-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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Related Compounds

2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189509
2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
CID 115413853
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
CID 113305237
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 115413812
N'-[(2-amino-5-methoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 115414152
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 115414082

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-methoxyaniline?
The IUPAC name of 2-[(dimethylamino)methyl]-5-methoxyaniline (CID 53407611) is 2-[(dimethylamino)methyl]-5-methoxyaniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-methoxyaniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-methoxyaniline is COc1ccc(CN(C)C)c(N)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-methoxyaniline?
The InChIKey is DLARITXSXPMFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)7-8-4-5-9(13-3)6-10(8)11/h4-6H,7,11H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-5-methoxyaniline?
2-[(dimethylamino)methyl]-5-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 2-[(dimethylamino)methyl]-5-methoxyaniline is sourced from PubChem (CID 53407611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).