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

C14H21NO3 — CID 114163594

IUPAC4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC1COc2ccccc21
InChIInChI=1S/C14H21NO3/c1-17-10-12(16)6-7-15-8-11-9-18-14-5-3-2-4-13(11)14/h2-5,11-12,15-16H,6-10H2,1H3
InChIKeyOUYPZEPYPXGFEK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds7

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

4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol (PubChem CID 114163594) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
PubChem CID114163594
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCC1COc2ccccc21
InChIInChI=1S/C14H21NO3/c1-17-10-12(16)6-7-15-8-11-9-18-14-5-3-2-4-13(11)14/h2-5,11-12,15-16H,6-10H2,1H3
InChIKeyOUYPZEPYPXGFEK-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79227069
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-methoxybutan-2-ol
CID 106246464
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-phenylethanol
CID 79226740
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol (CID 114163594) is 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol is COCC(O)CCNCC1COc2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol?
The InChIKey is OUYPZEPYPXGFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-10-12(16)6-7-15-8-11-9-18-14-5-3-2-4-13(11)14/h2-5,11-12,15-16H,6-10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol?
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol is sourced from PubChem (CID 114163594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).