3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline

C15H26N2O — CID 114228156

IUPAC3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline
SMILESCOC(C)(C)C(C)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(15(2,3)18-6)16-14-9-7-8-13(10-14)11-17(4)5/h7-10,12,16H,11H2,1-6H3
InChIKeyLSEFMNRGNZIVIG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.97
Rot. Bonds6

About 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline

3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline (PubChem CID 114228156) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline
PubChem CID114228156
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline
SMILESCOC(C)(C)C(C)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(15(2,3)18-6)16-14-9-7-8-13(10-14)11-17(4)5/h7-10,12,16H,11H2,1-6H3
InChIKeyLSEFMNRGNZIVIG-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxy-3-methylbutan-2-yl)amino]benzoic acid
CID 175811829
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N-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-2-methylpropanamide
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2-[3-[(dimethylamino)methyl]anilino]propanoic acid
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tert-butyl N-[2-[3-[(dimethylamino)methyl]anilino]propyl]carbamate
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3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115918712
3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43688866
3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
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N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 43435749
3-[(dimethylamino)methyl]-N-phenylaniline
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N'-[3-[(dimethylamino)methyl]phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441519

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline (CID 114228156) is 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline is COC(C)(C)C(C)Nc1cccc(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline?
The InChIKey is LSEFMNRGNZIVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(15(2,3)18-6)16-14-9-7-8-13(10-14)11-17(4)5/h7-10,12,16H,11H2,1-6H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline?
3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline has a molecular weight of 250.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline is sourced from PubChem (CID 114228156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).