N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine

C15H13ClN2S — CID 107584829

IUPACN-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2sc3ccccc3c2Cl)c1
InChIInChI=1S/C15H13ClN2S/c1-10-6-11(8-17-7-10)18-9-14-15(16)12-4-2-3-5-13(12)19-14/h2-8,18H,9H2,1H3
InChIKeyOIKKOXIITQLTRE-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.87
Rot. Bonds3

About N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine (PubChem CID 107584829) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine
PubChem CID107584829
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2sc3ccccc3c2Cl)c1
InChIInChI=1S/C15H13ClN2S/c1-10-6-11(8-17-7-10)18-9-14-15(16)12-4-2-3-5-13(12)19-14/h2-8,18H,9H2,1H3
InChIKeyOIKKOXIITQLTRE-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-fluoro-4-methylaniline
CID 60702678
3-[(3-chloro-1-benzothiophen-2-yl)methylamino]phenol
CID 54895686
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3,4-difluoroaniline
CID 63422998
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-methylsulfanylaniline
CID 60702970
4-[(3-chloro-1-benzothiophen-2-yl)methylamino]benzonitrile
CID 63422683
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 61282966
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 63476646
1-(3-chloro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700769
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-methoxy-2-methylaniline
CID 63476356
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-propylaniline
CID 63433971
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680127

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine (CID 107584829) is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine is Cc1cncc(NCc2sc3ccccc3c2Cl)c1.
What is the InChIKey of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine?
The InChIKey is OIKKOXIITQLTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10-6-11(8-17-7-10)18-9-14-15(16)12-4-2-3-5-13(12)19-14/h2-8,18H,9H2,1H3.
What are the key properties of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine?
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methylpyridin-3-amine has a molecular weight of 288.80 g/mol, XLogP of 4.87, 3 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]-5-methylpyridin-3-amine is sourced from PubChem (CID 107584829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).