[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol

C14H17NO3 — CID 79138546

IUPAC[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
SMILESNCC1(C(O)c2cc3ccccc3o2)CCOC1
InChIInChI=1S/C14H17NO3/c15-8-14(5-6-17-9-14)13(16)12-7-10-3-1-2-4-11(10)18-12/h1-4,7,13,16H,5-6,8-9,15H2
InChIKeyZHQJXNQQMFPASD-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.83
Rot. Bonds3

About [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol

[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol (PubChem CID 79138546) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
PubChem CID79138546
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
SMILESNCC1(C(O)c2cc3ccccc3o2)CCOC1
InChIInChI=1S/C14H17NO3/c15-8-14(5-6-17-9-14)13(16)12-7-10-3-1-2-4-11(10)18-12/h1-4,7,13,16H,5-6,8-9,15H2
InChIKeyZHQJXNQQMFPASD-UHFFFAOYSA-N
XLogP1.83
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)oxolan-3-yl]-phenylmethanol
CID 79134982
[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol
CID 79235310
[3-(aminomethyl)oxolan-3-yl]-(4-bromophenyl)methanol
CID 79134979
[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 79135823
1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
CID 114727316
1-[1-benzofuran-2-yl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79136365
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
CID 106297306
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
CID 78928712
1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114727447
[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol
CID 103716030
[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
CID 103715992

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol?
The IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol (CID 79138546) is [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol.
What is the SMILES notation for [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol?
The canonical SMILES for [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol is NCC1(C(O)c2cc3ccccc3o2)CCOC1.
What is the InChIKey of [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol?
The InChIKey is ZHQJXNQQMFPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c15-8-14(5-6-17-9-14)13(16)12-7-10-3-1-2-4-11(10)18-12/h1-4,7,13,16H,5-6,8-9,15H2.
What are the key properties of [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol?
[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol has a molecular weight of 247.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol is sourced from PubChem (CID 79138546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).