2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine

C10H12ClNO — CID 83880247

IUPAC2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNCCc1cc(Cl)c2c(c1)CCO2
InChIInChI=1S/C10H12ClNO/c11-9-6-7(1-3-12)5-8-2-4-13-10(8)9/h5-6H,1-4,12H2
InChIKeyIWWKORIKOYVVAR-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.78
Rot. Bonds2

About 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 83880247) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID83880247
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNCCc1cc(Cl)c2c(c1)CCO2
InChIInChI=1S/C10H12ClNO/c11-9-6-7(1-3-12)5-8-2-4-13-10(8)9/h5-6H,1-4,12H2
InChIKeyIWWKORIKOYVVAR-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 83885677
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamine
CID 43143769
[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736
2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83893031
(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 130658252
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
8-chloro-3,4-dihydro-2H-chromen-6-ol
CID 84659825
3-(9-bromo-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)propan-1-amine
CID 82249651
4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
CID 23071601
2-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 115010668
2-(6,7-dihydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
CID 169028900
2-(7-chloro-2-methylidene-1,3-dihydroindol-5-yl)ethanamine
CID 142880865

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 83880247) is 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine is NCCc1cc(Cl)c2c(c1)CCO2.
What is the InChIKey of 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is IWWKORIKOYVVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-6-7(1-3-12)5-8-2-4-13-10(8)9/h5-6H,1-4,12H2.
What are the key properties of 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 197.66 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 83880247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).