N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine

C14H12ClNOS — CID 82704691

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESClc1oc2ccccc2c1CNCc1ccsc1
InChIInChI=1S/C14H12ClNOS/c15-14-12(8-16-7-10-5-6-18-9-10)11-3-1-2-4-13(11)17-14/h1-6,9,16H,7-8H2
InChIKeyUYTHVKDTROWTET-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.44
Rot. Bonds4

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 82704691) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID82704691
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESClc1oc2ccccc2c1CNCc1ccsc1
InChIInChI=1S/C14H12ClNOS/c15-14-12(8-16-7-10-5-6-18-9-10)11-3-1-2-4-13(11)17-14/h1-6,9,16H,7-8H2
InChIKeyUYTHVKDTROWTET-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63001648
1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 82705338
4-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethyl]phenol
CID 82711814
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
1-thiophen-3-yl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 78922167
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol
CID 82760456
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82764642

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine (CID 82704691) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine is Clc1oc2ccccc2c1CNCc1ccsc1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is UYTHVKDTROWTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-14-12(8-16-7-10-5-6-18-9-10)11-3-1-2-4-13(11)17-14/h1-6,9,16H,7-8H2.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 277.78 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 82704691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).