2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol

C16H25NO4 — CID 62518230

IUPAC2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol
SMILESCCC(CC)(CO)NCc1cc(OC)c2c(c1)OCCO2
InChIInChI=1S/C16H25NO4/c1-4-16(5-2,11-18)17-10-12-8-13(19-3)15-14(9-12)20-6-7-21-15/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyRGQUERCYELRZMK-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.11
Rot. Bonds7

About 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol

2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol (PubChem CID 62518230) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol
PubChem CID62518230
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol
SMILESCCC(CC)(CO)NCc1cc(OC)c2c(c1)OCCO2
InChIInChI=1S/C16H25NO4/c1-4-16(5-2,11-18)17-10-12-8-13(19-3)15-14(9-12)20-6-7-21-15/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyRGQUERCYELRZMK-UHFFFAOYSA-N
XLogP2.11
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-2-ethylbutan-1-ol
CID 62518029
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
1-cyclobutyl-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]methanamine
CID 60790517
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine
CID 61166639
[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol
CID 115763038
1-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 32669709
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 60590073
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115623172
N-cyclopentyloxy-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
CID 83229552
N',N'-diethyl-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethane-1,2-diamine
CID 60692548
2-chloro-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]prop-2-en-1-amine
CID 115635519
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]but-2-yn-1-amine
CID 113342021

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol (CID 62518230) is 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol is CCC(CC)(CO)NCc1cc(OC)c2c(c1)OCCO2.
What is the InChIKey of 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol?
The InChIKey is RGQUERCYELRZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-16(5-2,11-18)17-10-12-8-13(19-3)15-14(9-12)20-6-7-21-15/h8-9,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol?
2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol has a molecular weight of 295.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol is sourced from PubChem (CID 62518230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).