N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine

C15H25NO2 — CID 62018205

IUPACN-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(COC(C)CC)c1
InChIInChI=1S/C15H25NO2/c1-5-12(3)18-11-14-9-13(10-16-6-2)7-8-15(14)17-4/h7-9,12,16H,5-6,10-11H2,1-4H3
InChIKeyBYEGJRHNFFHCAF-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.12
Rot. Bonds8

About N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine

N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine (PubChem CID 62018205) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine
PubChem CID62018205
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(COC(C)CC)c1
InChIInChI=1S/C15H25NO2/c1-5-12(3)18-11-14-9-13(10-16-6-2)7-8-15(14)17-4/h7-9,12,16H,5-6,10-11H2,1-4H3
InChIKeyBYEGJRHNFFHCAF-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2,2-difluoroethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 82005147
N-[[4-methoxy-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 62017826
N-[[4-methoxy-3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 66276951
N-[[3-(butan-2-ylsulfinylmethyl)-4-methoxyphenyl]methyl]ethanamine
CID 64652313
[3-(butan-2-yloxymethyl)-4-methoxyphenyl]boronic acid
CID 54969280
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62017221
N-[[4-methoxy-3-(2-methylpropylsulfanylmethyl)phenyl]methyl]ethanamine
CID 64610295
1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine
CID 62019677
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62018369
N-[[3-(2-butoxyethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62017074
[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol
CID 62019700
N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 82224262

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine (CID 62018205) is N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OC)c(COC(C)CC)c1.
What is the InChIKey of N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine?
The InChIKey is BYEGJRHNFFHCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-12(3)18-11-14-9-13(10-16-6-2)7-8-15(14)17-4/h7-9,12,16H,5-6,10-11H2,1-4H3.
What are the key properties of N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine?
N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 62018205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).