2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol

C14H20BrNO3 — CID 79415932

IUPAC2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C14H20BrNO3/c1-2-3-9(8-16)13(17)10-6-11(15)14-12(7-10)18-4-5-19-14/h6-7,9,13,17H,2-5,8,16H2,1H3
InChIKeyDHLIBXFTLGVRRE-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.63
Rot. Bonds5

About 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol

2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol (PubChem CID 79415932) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol
PubChem CID79415932
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol
SMILESCCCC(CN)C(O)c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C14H20BrNO3/c1-2-3-9(8-16)13(17)10-6-11(15)14-12(7-10)18-4-5-19-14/h6-7,9,13,17H,2-5,8,16H2,1H3
InChIKeyDHLIBXFTLGVRRE-UHFFFAOYSA-N
XLogP2.63
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-ol
CID 79138755
1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentan-1-ol
CID 65149748
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethane-1,2-diol
CID 82713152
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265586
2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-hydroxymethyl]butanoic acid
CID 62399239
2-amino-1-(7-bromo-1,3-benzodioxol-5-yl)butan-1-ol
CID 43566109
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
CID 115406223
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetonitrile
CID 43436579
3-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-hydroxypropanoic acid
CID 62395120
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017196
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035117
2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol (CID 79415932) is 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol is CCCC(CN)C(O)c1cc(Br)c2c(c1)OCCO2.
What is the InChIKey of 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol?
The InChIKey is DHLIBXFTLGVRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-2-3-9(8-16)13(17)10-6-11(15)14-12(7-10)18-4-5-19-14/h6-7,9,13,17H,2-5,8,16H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol?
2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol has a molecular weight of 330.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-1-ol is sourced from PubChem (CID 79415932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).