N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine

C15H25NO — CID 64989903

IUPACN-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-7-16-15(10-17-5)14-9-12(3)11(2)8-13(14)4/h8-9,15-16H,6-7,10H2,1-5H3
InChIKeyVNYXISYVQVURJP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.30
Rot. Bonds6

About N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine

N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine (PubChem CID 64989903) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
PubChem CID64989903
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-7-16-15(10-17-5)14-9-12(3)11(2)8-13(14)4/h8-9,15-16H,6-7,10H2,1-5H3
InChIKeyVNYXISYVQVURJP-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine
CID 105165710
N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 115346850
N-[2-methoxy-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790452
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
1-(4-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142781
N-[1-(4-bromo-2-chlorophenyl)-2-methoxyethyl]propan-1-amine
CID 105008686
2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116725058
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine (CID 64989903) is N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine is CCCNC(COC)c1cc(C)c(C)cc1C.
What is the InChIKey of N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
The InChIKey is VNYXISYVQVURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-7-16-15(10-17-5)14-9-12(3)11(2)8-13(14)4/h8-9,15-16H,6-7,10H2,1-5H3.
What are the key properties of N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine?
N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64989903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).