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

C10H12ClNO — CID 130658252

IUPAC(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESC[C@H](N)c1cc(Cl)c2c(c1)CCO2
InChIInChI=1S/C10H12ClNO/c1-6(12)8-4-7-2-3-13-10(7)9(11)5-8/h4-6H,2-3,12H2,1H3/t6-/m0/s1
InChIKeyMOIBGXFGQZBDSO-LURJTMIESA-N
MW197.66 g/mol
LogP2.29
Rot. Bonds1

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

(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 130658252) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID130658252
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESC[C@H](N)c1cc(Cl)c2c(c1)CCO2
InChIInChI=1S/C10H12ClNO/c1-6(12)8-4-7-2-3-13-10(7)9(11)5-8/h4-6H,2-3,12H2,1H3/t6-/m0/s1
InChIKeyMOIBGXFGQZBDSO-LURJTMIESA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 130682579
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247
1-(6-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)ethanamine
CID 117392708
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 83885677
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
CID 104845232
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053279
2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-ol
CID 113291524
2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 62763630
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 130658252) is (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine is C[C@H](N)c1cc(Cl)c2c(c1)CCO2.
What is the InChIKey of (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is MOIBGXFGQZBDSO-LURJTMIESA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6(12)8-4-7-2-3-13-10(7)9(11)5-8/h4-6H,2-3,12H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 197.66 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 130658252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).