1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine

C15H25NO2 — CID 54957615

IUPAC1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCCC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-15(2,3)8-9-18-14-7-6-13(17-5)10-12(14)11-16-4/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyFOOZLQJPIYSDRZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds6

About 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine

1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine (PubChem CID 54957615) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
PubChem CID54957615
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCCC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-15(2,3)8-9-18-14-7-6-13(17-5)10-12(14)11-16-4/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyFOOZLQJPIYSDRZ-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65249827
N-[[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 61481281
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]butan-2-amine
CID 61481330
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65249887
1-(2-but-2-ynoxy-5-methoxyphenyl)-N-methylmethanamine
CID 62311325
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61028878
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine (CID 54957615) is 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1OCCC(C)(C)C.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine?
The InChIKey is FOOZLQJPIYSDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)8-9-18-14-7-6-13(17-5)10-12(14)11-16-4/h6-7,10,16H,8-9,11H2,1-5H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine?
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 54957615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).