N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline

C15H25NO — CID 102975622

IUPACN-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
SMILESCOC(C)(C)CCNc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-11-9-12(2)14(13(3)10-11)16-8-7-15(4,5)17-6/h9-10,16H,7-8H2,1-6H3
InChIKeyBSSXCIPOFCAZLA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.84
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline

N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline (PubChem CID 102975622) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
PubChem CID102975622
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
SMILESCOC(C)(C)CCNc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-11-9-12(2)14(13(3)10-11)16-8-7-15(4,5)17-6/h9-10,16H,7-8H2,1-6H3
InChIKeyBSSXCIPOFCAZLA-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline
CID 103033502
N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
CID 63448276
4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103028364
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776
manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808827
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
CID 115214635
3,5-dichloro-4-fluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 107572836
N-(3-methoxy-3-methylbutyl)thiophen-3-amine
CID 103033422

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline (CID 102975622) is N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline is COC(C)(C)CCNc1c(C)cc(C)cc1C.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline?
The InChIKey is BSSXCIPOFCAZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-9-12(2)14(13(3)10-11)16-8-7-15(4,5)17-6/h9-10,16H,7-8H2,1-6H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline?
N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline has a molecular weight of 235.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 102975622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).