1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol

C14H21NO2 — CID 113497582

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
SMILESCCC(O)CCNCC1COc2ccccc21
InChIInChI=1S/C14H21NO2/c1-2-12(16)7-8-15-9-11-10-17-14-6-4-3-5-13(11)14/h3-6,11-12,15-16H,2,7-10H2,1H3
InChIKeyOSPBHUUYRGMPCF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol (PubChem CID 113497582) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
PubChem CID113497582
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
SMILESCCC(O)CCNCC1COc2ccccc21
InChIInChI=1S/C14H21NO2/c1-2-12(16)7-8-15-9-11-10-17-14-6-4-3-5-13(11)14/h3-6,11-12,15-16H,2,7-10H2,1H3
InChIKeyOSPBHUUYRGMPCF-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-1-methoxybutan-2-ol
CID 114163594
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)hexan-3-amine
CID 79226351
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol (CID 113497582) is 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol is CCC(O)CCNCC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol?
The InChIKey is OSPBHUUYRGMPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-12(16)7-8-15-9-11-10-17-14-6-4-3-5-13(11)14/h3-6,11-12,15-16H,2,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol?
1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol is sourced from PubChem (CID 113497582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).