N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine

C13H12BrNOS — CID 113345249

IUPACN-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
SMILESBrc1csc(CNc2ccc3c(c2)COC3)c1
InChIInChI=1S/C13H12BrNOS/c14-11-4-13(17-8-11)5-15-12-2-1-9-6-16-7-10(9)3-12/h1-4,8,15H,5-7H2
InChIKeyNPLMOMULXOCXBP-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.15
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine

N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 113345249) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
PubChem CID113345249
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
SMILESBrc1csc(CNc2ccc3c(c2)COC3)c1
InChIInChI=1S/C13H12BrNOS/c14-11-4-13(17-8-11)5-15-12-2-1-9-6-16-7-10(9)3-12/h1-4,8,15H,5-7H2
InChIKeyNPLMOMULXOCXBP-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine 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

N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881527
N-[(4-bromothiophen-2-yl)methyl]naphthalen-2-amine
CID 43680355
N-[(6-bromo-2-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 113357969
N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881537
2-amino-4-[(4-bromothiophen-2-yl)methylamino]benzenesulfonamide
CID 79466376
4-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzonitrile
CID 113295715
[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
CID 113345604
1-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 115586166
5-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 43728012
4-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 115485490
N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 43673183
4-[(4-bromothiophen-2-yl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 63902497

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine (CID 113345249) is N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine is Brc1csc(CNc2ccc3c(c2)COC3)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is NPLMOMULXOCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c14-11-4-13(17-8-11)5-15-12-2-1-9-6-16-7-10(9)3-12/h1-4,8,15H,5-7H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine?
N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 310.22 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 113345249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).