5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline

C15H26N2O — CID 61324530

IUPAC5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
SMILESCOc1ccc(CN(C)C)cc1NCC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,3)11-16-13-9-12(10-17(4)5)7-8-14(13)18-6/h7-9,16H,10-11H2,1-6H3
InChIKeyOYOFFYNEEFNHFA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.21
Rot. Bonds5

About 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline

5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline (PubChem CID 61324530) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
PubChem CID61324530
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
SMILESCOc1ccc(CN(C)C)cc1NCC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,3)11-16-13-9-12(10-17(4)5)7-8-14(13)18-6/h7-9,16H,10-11H2,1-6H3
InChIKeyOYOFFYNEEFNHFA-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
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2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
CID 43686533
5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096
6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol
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3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
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N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline?
The IUPAC name of 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline (CID 61324530) is 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline is COc1ccc(CN(C)C)cc1NCC(C)(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline?
The InChIKey is OYOFFYNEEFNHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)11-16-13-9-12(10-17(4)5)7-8-14(13)18-6/h7-9,16H,10-11H2,1-6H3.
What are the key properties of 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline?
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline has a molecular weight of 250.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline is sourced from PubChem (CID 61324530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).