4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine

C16H27NO — CID 104628706

IUPAC4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
SMILESCOCCC(C)(C)CNC(C)c1ccc(C)cc1
InChIInChI=1S/C16H27NO/c1-13-6-8-15(9-7-13)14(2)17-12-16(3,4)10-11-18-5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyBXQQBHANVABKQY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds7

About 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine

4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine (PubChem CID 104628706) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
PubChem CID104628706
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
SMILESCOCCC(C)(C)CNC(C)c1ccc(C)cc1
InChIInChI=1S/C16H27NO/c1-13-6-8-15(9-7-13)14(2)17-12-16(3,4)10-11-18-5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyBXQQBHANVABKQY-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434200
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628810
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628894
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 113355515
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid
CID 79624776

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine?
The IUPAC name of 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine (CID 104628706) is 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine?
The canonical SMILES for 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine is COCCC(C)(C)CNC(C)c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine?
The InChIKey is BXQQBHANVABKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-6-8-15(9-7-13)14(2)17-12-16(3,4)10-11-18-5/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine?
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 104628706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).