N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine

C15H25NO — CID 62103815

IUPACN-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
SMILESCCC(C)COc1ccc(C)cc1C(C)NC
InChIInChI=1S/C15H25NO/c1-6-11(2)10-17-15-8-7-12(3)9-14(15)13(4)16-5/h7-9,11,13,16H,6,10H2,1-5H3
InChIKeyOHDXZLIQDJQBMA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.70
Rot. Bonds6

About N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine

N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine (PubChem CID 62103815) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
PubChem CID62103815
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
SMILESCCC(C)COc1ccc(C)cc1C(C)NC
InChIInChI=1S/C15H25NO/c1-6-11(2)10-17-15-8-7-12(3)9-14(15)13(4)16-5/h7-9,11,13,16H,6,10H2,1-5H3
InChIKeyOHDXZLIQDJQBMA-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486793
N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340692
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
5-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54966103
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 103156475
[5-methyl-2-(2-methylbutoxy)phenyl]methanol
CID 63325195
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine (CID 62103815) is N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine is CCC(C)COc1ccc(C)cc1C(C)NC.
What is the InChIKey of N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine?
The InChIKey is OHDXZLIQDJQBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-11(2)10-17-15-8-7-12(3)9-14(15)13(4)16-5/h7-9,11,13,16H,6,10H2,1-5H3.
What are the key properties of N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine?
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 62103815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).