[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol

C14H19NO4 — CID 115763038

IUPAC[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol
SMILESCOc1cc(CNC2(CO)CC2)cc2c1OCCO2
InChIInChI=1S/C14H19NO4/c1-17-11-6-10(8-15-14(9-16)2-3-14)7-12-13(11)19-5-4-18-12/h6-7,15-16H,2-5,8-9H2,1H3
InChIKeyWFMXBYBAUXZHKO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.08
Rot. Bonds5

About [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol

[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol (PubChem CID 115763038) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol
PubChem CID115763038
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol
SMILESCOc1cc(CNC2(CO)CC2)cc2c1OCCO2
InChIInChI=1S/C14H19NO4/c1-17-11-6-10(8-15-14(9-16)2-3-14)7-12-13(11)19-5-4-18-12/h6-7,15-16H,2-5,8-9H2,1H3
InChIKeyWFMXBYBAUXZHKO-UHFFFAOYSA-N
XLogP1.08
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexyl]methanol
CID 115909570
[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol
CID 115762979
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol
CID 62518230
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-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]cyclobutyl]methanol
CID 115733349
N-cyclopentyloxy-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine
CID 83229552
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]cyclopent-3-en-1-amine
CID 115696385
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 30610505
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 [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol (CID 115763038) is [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol is COc1cc(CNC2(CO)CC2)cc2c1OCCO2.
What is the InChIKey of [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol?
The InChIKey is WFMXBYBAUXZHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-11-6-10(8-15-14(9-16)2-3-14)7-12-13(11)19-5-4-18-12/h6-7,15-16H,2-5,8-9H2,1H3.
What are the key properties of [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol?
[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol has a molecular weight of 265.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115763038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).