3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol

C15H18ClNO3 — CID 107268423

IUPAC3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H18ClNO3/c1-10-15(18,6-7-19-10)9-17-8-12-11-4-2-3-5-13(11)20-14(12)16/h2-5,10,17-18H,6-9H2,1H3
InChIKeyRRNATOZROCFVDF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.72
Rot. Bonds4

About 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107268423) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107268423
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H18ClNO3/c1-10-15(18,6-7-19-10)9-17-8-12-11-4-2-3-5-13(11)20-14(12)16/h2-5,10,17-18H,6-9H2,1H3
InChIKeyRRNATOZROCFVDF-UHFFFAOYSA-N
XLogP2.72
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 82704699
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
CID 113488701
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
CID 103866198
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide
CID 106100249

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol (CID 107268423) is 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCc1c(Cl)oc2ccccc12.
What is the InChIKey of 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is RRNATOZROCFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10-15(18,6-7-19-10)9-17-8-12-11-4-2-3-5-13(11)20-14(12)16/h2-5,10,17-18H,6-9H2,1H3.
What are the key properties of 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 295.77 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107268423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).