N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine

C14H12ClNOS — CID 60662713

IUPACN-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
SMILESClc1c(CNCc2ccco2)sc2ccccc12
InChIInChI=1S/C14H12ClNOS/c15-14-11-5-1-2-6-12(11)18-13(14)9-16-8-10-4-3-7-17-10/h1-7,16H,8-9H2
InChIKeyQPJQPZIKHIYGBO-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.44
Rot. Bonds4

About N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 60662713) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID60662713
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
SMILESClc1c(CNCc2ccco2)sc2ccccc12
InChIInChI=1S/C14H12ClNOS/c15-14-11-5-1-2-6-12(11)18-13(14)9-16-8-10-4-3-7-17-10/h1-7,16H,8-9H2
InChIKeyQPJQPZIKHIYGBO-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-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415368
4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol
CID 115603303
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 61282966
3-[(3-chloro-1-benzothiophen-2-yl)methylamino]propan-1-ol
CID 60662747
3-chloro-N-(furan-2-ylmethylcarbamothioyl)-1-benzothiophene-2-carboxamide
CID 1243571
1-[(3-chloro-1-benzothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 113237031
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-ethoxyethanamine
CID 54893710
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542
2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propane-1,3-diol
CID 65315393
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7395243
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-methylpentan-2-amine
CID 63453706

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine (CID 60662713) is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine is Clc1c(CNCc2ccco2)sc2ccccc12.
What is the InChIKey of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is QPJQPZIKHIYGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-14-11-5-1-2-6-12(11)18-13(14)9-16-8-10-4-3-7-17-10/h1-7,16H,8-9H2.
What are the key properties of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine?
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine 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-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 60662713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).