1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine

C15H25NO3 — CID 167243568

IUPAC1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
SMILESCCOc1cc(CC(N)CC)c(OC)cc1COC
InChIInChI=1S/C15H25NO3/c1-5-13(16)7-11-8-15(19-6-2)12(10-17-3)9-14(11)18-4/h8-9,13H,5-7,10,16H2,1-4H3
InChIKeyFYKWAWPSSVQVOM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.52
Rot. Bonds8

About 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine

1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine (PubChem CID 167243568) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
PubChem CID167243568
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
SMILESCCOc1cc(CC(N)CC)c(OC)cc1COC
InChIInChI=1S/C15H25NO3/c1-5-13(16)7-11-8-15(19-6-2)12(10-17-3)9-14(11)18-4/h8-9,13H,5-7,10,16H2,1-4H3
InChIKeyFYKWAWPSSVQVOM-UHFFFAOYSA-N
XLogP2.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-[4-(1,1-difluoroethyl)-5-ethoxy-2-methoxyphenyl]butan-2-amine
CID 167243727
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
1-(2,5-diethoxy-4-methylsulfanylphenyl)butan-2-amine
CID 176553691
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
CID 170890550
1-[4-(3,3-difluorobutyl)-2,5-dimethoxyphenyl]butan-2-amine
CID 176553694
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine?
The IUPAC name of 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine (CID 167243568) is 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine is CCOc1cc(CC(N)CC)c(OC)cc1COC.
What is the InChIKey of 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine?
The InChIKey is FYKWAWPSSVQVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-13(16)7-11-8-15(19-6-2)12(10-17-3)9-14(11)18-4/h8-9,13H,5-7,10,16H2,1-4H3.
What are the key properties of 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine?
1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine is sourced from PubChem (CID 167243568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).