1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol

C15H25NO3 — CID 60887844

IUPAC1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
SMILESCCCOc1ccc(CNCC)c(OCC(C)O)c1
InChIInChI=1S/C15H25NO3/c1-4-8-18-14-7-6-13(10-16-5-2)15(9-14)19-11-12(3)17/h6-7,9,12,16-17H,4-5,8,10-11H2,1-3H3
InChIKeyZPCIOQZZQLDSKB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds9

About 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol

1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol (PubChem CID 60887844) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
PubChem CID60887844
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
SMILESCCCOc1ccc(CNCC)c(OCC(C)O)c1
InChIInChI=1S/C15H25NO3/c1-4-8-18-14-7-6-13(10-16-5-2)15(9-14)19-11-12(3)17/h6-7,9,12,16-17H,4-5,8,10-11H2,1-3H3
InChIKeyZPCIOQZZQLDSKB-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol
CID 63063515
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65365461
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-[[2-(3-methylbut-2-enoxy)-4-propoxyphenyl]methyl]propan-1-amine
CID 63500456
1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
CID 54805012
2-[(2-methylpropylamino)methyl]-5-propoxyphenol
CID 55147776
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol?
The IUPAC name of 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol (CID 60887844) is 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol is CCCOc1ccc(CNCC)c(OCC(C)O)c1.
What is the InChIKey of 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol?
The InChIKey is ZPCIOQZZQLDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-8-18-14-7-6-13(10-16-5-2)15(9-14)19-11-12(3)17/h6-7,9,12,16-17H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol?
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol is sourced from PubChem (CID 60887844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).