3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol

C14H21NO3 — CID 106159943

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H21NO3/c1-17-10-12(6-7-16)15-9-13-8-11-4-2-3-5-14(11)18-13/h2-5,12-13,15-16H,6-10H2,1H3
InChIKeyYAHMWPHBWYLYIC-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.98
Rot. Bonds7

About 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol

3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol (PubChem CID 106159943) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol
PubChem CID106159943
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H21NO3/c1-17-10-12(6-7-16)15-9-13-8-11-4-2-3-5-14(11)18-13/h2-5,12-13,15-16H,6-10H2,1H3
InChIKeyYAHMWPHBWYLYIC-UHFFFAOYSA-N
XLogP0.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol
CID 66363184
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 66347030
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 66349179
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110940538
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
2-(2,3-dihydro-1-benzofuran-2-yl)-N-(2-methoxyethyl)ethanamine
CID 66365011
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(2-methoxyethoxy)phenyl]urea
CID 86841892

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol (CID 106159943) is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol is COCC(CCO)NCC1Cc2ccccc2O1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol?
The InChIKey is YAHMWPHBWYLYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-10-12(6-7-16)15-9-13-8-11-4-2-3-5-14(11)18-13/h2-5,12-13,15-16H,6-10H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol?
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol is sourced from PubChem (CID 106159943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).