2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol

C15H23NO2 — CID 115250940

IUPAC2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO2/c1-3-12(11-17)9-16(2)10-13-4-5-15-14(8-13)6-7-18-15/h4-5,8,12,17H,3,6-7,9-11H2,1-2H3
InChIKeyLXRLAEAPBDJIIC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.07
Rot. Bonds6

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

2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol (PubChem CID 115250940) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol
PubChem CID115250940
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO2/c1-3-12(11-17)9-16(2)10-13-4-5-15-14(8-13)6-7-18-15/h4-5,8,12,17H,3,6-7,9-11H2,1-2H3
InChIKeyLXRLAEAPBDJIIC-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250884
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250873
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butan-1-ol
CID 116930737
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115756831
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol (CID 115250940) is 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol is CCC(CO)CN(C)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol?
The InChIKey is LXRLAEAPBDJIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-12(11-17)9-16(2)10-13-4-5-15-14(8-13)6-7-18-15/h4-5,8,12,17H,3,6-7,9-11H2,1-2H3.
What are the key properties of 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol?
2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115250940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).