2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol

C14H21NO3 — CID 67895461

IUPAC2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCN(CCO)CC1Cc2cc(O)ccc2O1
InChIInChI=1S/C14H21NO3/c1-2-5-15(6-7-16)10-13-9-11-8-12(17)3-4-14(11)18-13/h3-4,8,13,16-17H,2,5-7,9-10H2,1H3
InChIKeyFWUOGASUYPFMGJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.40
Rot. Bonds6

About 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol

2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 67895461) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol
PubChem CID67895461
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCN(CCO)CC1Cc2cc(O)ccc2O1
InChIInChI=1S/C14H21NO3/c1-2-5-15(6-7-16)10-13-9-11-8-12(17)3-4-14(11)18-13/h3-4,8,13,16-17H,2,5-7,9-10H2,1H3
InChIKeyFWUOGASUYPFMGJ-UHFFFAOYSA-N
XLogP1.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79665281
3-(5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethylpropanoic acid
CID 117201292
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616062
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79390229
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol
CID 115698014
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66360803
3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
CID 105496645
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 113476301
2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66363950
2,5-diethyl-2,3-dihydro-1-benzofuran
CID 19757400

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol (CID 67895461) is 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol is CCCN(CCO)CC1Cc2cc(O)ccc2O1.
What is the InChIKey of 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is FWUOGASUYPFMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-5-15(6-7-16)10-13-9-11-8-12(17)3-4-14(11)18-13/h3-4,8,13,16-17H,2,5-7,9-10H2,1H3.
What are the key properties of 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol?
2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 251.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 67895461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).