(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine

C13H12ClNOS — CID 80529802

IUPAC(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESNC(c1sccc1Cl)C1Cc2ccccc2O1
InChIInChI=1S/C13H12ClNOS/c14-9-5-6-17-13(9)12(15)11-7-8-3-1-2-4-10(8)16-11/h1-6,11-12H,7,15H2
InChIKeyIKLBHKYHTMFKCD-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.40
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine

(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 80529802) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID80529802
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESNC(c1sccc1Cl)C1Cc2ccccc2O1
InChIInChI=1S/C13H12ClNOS/c14-9-5-6-17-13(9)12(15)11-7-8-3-1-2-4-10(8)16-11/h1-6,11-12H,7,15H2
InChIKeyIKLBHKYHTMFKCD-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247432
(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825332
2-[bromo-(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63441694
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025
1-(2,3-dihydro-1-benzofuran-2-yl)-3-ethylpentan-1-amine
CID 82922849
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 114660003
2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethoxyphenyl)methanamine
CID 43197229
(3-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 107361835
3-[bromo-(3-chlorothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 80530451
2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61084687

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 80529802) is (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine is NC(c1sccc1Cl)C1Cc2ccccc2O1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is IKLBHKYHTMFKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c14-9-5-6-17-13(9)12(15)11-7-8-3-1-2-4-10(8)16-11/h1-6,11-12H,7,15H2.
What are the key properties of (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 265.77 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 80529802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).