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

C11H13F2NO — CID 117303834

IUPAC3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
SMILESNCCCc1c(F)cc(F)c2c1CCO2
InChIInChI=1S/C11H13F2NO/c12-9-6-10(13)11-8(3-5-15-11)7(9)2-1-4-14/h6H,1-5,14H2
InChIKeyMDZSGGZQEUWCBC-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.79
Rot. Bonds3

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

3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine (PubChem CID 117303834) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
PubChem CID117303834
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
SMILESNCCCc1c(F)cc(F)c2c1CCO2
InChIInChI=1S/C11H13F2NO/c12-9-6-10(13)11-8(3-5-15-11)7(9)2-1-4-14/h6H,1-5,14H2
InChIKeyMDZSGGZQEUWCBC-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-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

3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 19611649
4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine
CID 117385750
3-(5-chloro-7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanamide
CID 19611694
3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117329952
1-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopropan-1-amine
CID 117301025
2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
CID 115010665
2-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 115010668
(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117354974
3-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-amine
CID 117403455
3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
CID 84775331
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-amine
CID 117406699

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine?
The IUPAC name of 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine (CID 117303834) is 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine?
The canonical SMILES for 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine is NCCCc1c(F)cc(F)c2c1CCO2.
What is the InChIKey of 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine?
The InChIKey is MDZSGGZQEUWCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-6-10(13)11-8(3-5-15-11)7(9)2-1-4-14/h6H,1-5,14H2.
What are the key properties of 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine?
3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine has a molecular weight of 213.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine is sourced from PubChem (CID 117303834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).