N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine

C15H25NO — CID 105094581

IUPACN-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
SMILESCCNC(CC(C)COC)c1ccccc1C
InChIInChI=1S/C15H25NO/c1-5-16-15(10-12(2)11-17-4)14-9-7-6-8-13(14)3/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyDHZNGDHCEABKOE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.32
Rot. Bonds7

About N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine

N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine (PubChem CID 105094581) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
PubChem CID105094581
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
SMILESCCNC(CC(C)COC)c1ccccc1C
InChIInChI=1S/C15H25NO/c1-5-16-15(10-12(2)11-17-4)14-9-7-6-8-13(14)3/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyDHZNGDHCEABKOE-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 104881788
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468
2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64612599
1-(4-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142781
2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63474881
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine (CID 105094581) is N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine is CCNC(CC(C)COC)c1ccccc1C.
What is the InChIKey of N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine?
The InChIKey is DHZNGDHCEABKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-15(10-12(2)11-17-4)14-9-7-6-8-13(14)3/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine?
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 105094581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).