(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

C14H13Cl2NOS — CID 107960594

IUPAC(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCC1Cc2cc(C(N)c3cc(Cl)sc3Cl)ccc2O1
InChIInChI=1S/C14H13Cl2NOS/c1-7-4-9-5-8(2-3-11(9)18-7)13(17)10-6-12(15)19-14(10)16/h2-3,5-7,13H,4,17H2,1H3
InChIKeyUEFQSBPFPJHLSY-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.43
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 107960594) has the molecular formula C14H13Cl2NOS and a molecular weight of 314.24 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID107960594
Molecular FormulaC14H13Cl2NOS
Molecular Weight314.24 g/mol
Exact Mass313.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCC1Cc2cc(C(N)c3cc(Cl)sc3Cl)ccc2O1
InChIInChI=1S/C14H13Cl2NOS/c1-7-4-9-5-8(2-3-11(9)18-7)13(17)10-6-12(15)19-14(10)16/h2-3,5-7,13H,4,17H2,1H3
InChIKeyUEFQSBPFPJHLSY-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine 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

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
CID 43297145
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine
CID 43384519
1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 61406740
(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65308282
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43297193
6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107961289
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
(2-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61082038
(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 82771936
5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 61096385

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 107960594) is (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is CC1Cc2cc(C(N)c3cc(Cl)sc3Cl)ccc2O1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is UEFQSBPFPJHLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS/c1-7-4-9-5-8(2-3-11(9)18-7)13(17)10-6-12(15)19-14(10)16/h2-3,5-7,13H,4,17H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 107960594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).