2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine

C12H16ClNO2 — CID 83899193

IUPAC2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine
SMILESCOc1c(C(C)CN)cc2c(c1Cl)CCO2
InChIInChI=1S/C12H16ClNO2/c1-7(6-14)9-5-10-8(3-4-16-10)11(13)12(9)15-2/h5,7H,3-4,6,14H2,1-2H3
InChIKeyAXLPFYAMHHNERU-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine

2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine (PubChem CID 83899193) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine
PubChem CID83899193
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine
SMILESCOc1c(C(C)CN)cc2c(c1Cl)CCO2
InChIInChI=1S/C12H16ClNO2/c1-7(6-14)9-5-10-8(3-4-16-10)11(13)12(9)15-2/h5,7H,3-4,6,14H2,1-2H3
InChIKeyAXLPFYAMHHNERU-UHFFFAOYSA-N
XLogP2.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine?
The IUPAC name of 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine (CID 83899193) is 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine is COc1c(C(C)CN)cc2c(c1Cl)CCO2.
What is the InChIKey of 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine?
The InChIKey is AXLPFYAMHHNERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7(6-14)9-5-10-8(3-4-16-10)11(13)12(9)15-2/h5,7H,3-4,6,14H2,1-2H3.
What are the key properties of 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine?
2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine has a molecular weight of 241.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propan-1-amine is sourced from PubChem (CID 83899193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).