2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol

C15H23NO2 — CID 106506404

IUPAC2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
SMILESCCCC(CN)(CO)CC1Cc2ccccc2O1
InChIInChI=1S/C15H23NO2/c1-2-7-15(10-16,11-17)9-13-8-12-5-3-4-6-14(12)18-13/h3-6,13,17H,2,7-11,16H2,1H3
InChIKeyYHAMDZSRSPUZJJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.12
Rot. Bonds6

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

2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol (PubChem CID 106506404) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
PubChem CID106506404
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
SMILESCCCC(CN)(CO)CC1Cc2ccccc2O1
InChIInChI=1S/C15H23NO2/c1-2-7-15(10-16,11-17)9-13-8-12-5-3-4-6-14(12)18-13/h3-6,13,17H,2,7-11,16H2,1H3
InChIKeyYHAMDZSRSPUZJJ-UHFFFAOYSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
CID 79456341
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid
CID 106488473
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpentan-2-ol
CID 114169479
ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate
CID 132821328
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 66346640
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-propylpentan-1-amine
CID 66363254
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393519
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 54896354
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol (CID 106506404) is 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol is CCCC(CN)(CO)CC1Cc2ccccc2O1.
What is the InChIKey of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol?
The InChIKey is YHAMDZSRSPUZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-7-15(10-16,11-17)9-13-8-12-5-3-4-6-14(12)18-13/h3-6,13,17H,2,7-11,16H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol?
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol is sourced from PubChem (CID 106506404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).