1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol

C14H23NO3 — CID 60888804

IUPAC1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
SMILESCCNCc1cccc(OC)c1OCC(O)CC
InChIInChI=1S/C14H23NO3/c1-4-12(16)10-18-14-11(9-15-5-2)7-6-8-13(14)17-3/h6-8,12,15-16H,4-5,9-10H2,1-3H3
InChIKeyOSKYWJSOVZBITD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.95
Rot. Bonds8

About 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol

1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol (PubChem CID 60888804) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
PubChem CID60888804
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
SMILESCCNCc1cccc(OC)c1OCC(O)CC
InChIInChI=1S/C14H23NO3/c1-4-12(16)10-18-14-11(9-15-5-2)7-6-8-13(14)17-3/h6-8,12,15-16H,4-5,9-10H2,1-3H3
InChIKeyOSKYWJSOVZBITD-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
N-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
N-[[2-(2-ethylbutoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 82927622
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 43427709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol?
The IUPAC name of 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol (CID 60888804) is 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol.
What is the SMILES notation for 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol?
The canonical SMILES for 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol is CCNCc1cccc(OC)c1OCC(O)CC.
What is the InChIKey of 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol?
The InChIKey is OSKYWJSOVZBITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-12(16)10-18-14-11(9-15-5-2)7-6-8-13(14)17-3/h6-8,12,15-16H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol?
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol is sourced from PubChem (CID 60888804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).