(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine

C8H8ClNO — CID 40787213

IUPAC(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@@H]1COc2c(Cl)cccc21
InChIInChI=1S/C8H8ClNO/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3,7H,4,10H2/t7-/m1/s1
InChIKeyJMNUJABIUFDNFZ-SSDOTTSWSA-N
MW169.61 g/mol
LogP1.73
Rot. Bonds

About (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine

(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 40787213) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID40787213
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@@H]1COc2c(Cl)cccc21
InChIInChI=1S/C8H8ClNO/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3,7H,4,10H2/t7-/m1/s1
InChIKeyJMNUJABIUFDNFZ-SSDOTTSWSA-N
XLogP1.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine (CID 40787213) is (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine is N[C@@H]1COc2c(Cl)cccc21.
What is the InChIKey of (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JMNUJABIUFDNFZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-3,7H,4,10H2/t7-/m1/s1.
What are the key properties of (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine?
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 169.61 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 40787213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).