2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

C12H16ClNO2 — CID 117356405

IUPAC2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(Cl)c2c1OCC2
InChIInChI=1S/C12H16ClNO2/c1-12(2,14)8-6-9(15-3)11-7(10(8)13)4-5-16-11/h6H,4-5,14H2,1-3H3
InChIKeyJYOBSQQYFCYUNY-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.48
Rot. Bonds2

About 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine (PubChem CID 117356405) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
PubChem CID117356405
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(Cl)c2c1OCC2
InChIInChI=1S/C12H16ClNO2/c1-12(2,14)8-6-9(15-3)11-7(10(8)13)4-5-16-11/h6H,4-5,14H2,1-3H3
InChIKeyJYOBSQQYFCYUNY-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 117327727
4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 117275802
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
ethyl 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 117458127
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117319995
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117454644
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117423076
2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117452538

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The IUPAC name of 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine (CID 117356405) is 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine.
What is the SMILES notation for 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The canonical SMILES for 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine is COc1cc(C(C)(C)N)c(Cl)c2c1OCC2.
What is the InChIKey of 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The InChIKey is JYOBSQQYFCYUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,14)8-6-9(15-3)11-7(10(8)13)4-5-16-11/h6H,4-5,14H2,1-3H3.
What are the key properties of 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine has a molecular weight of 241.72 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine is sourced from PubChem (CID 117356405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).