N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine

C12H13ClN2OS — CID 28712760

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Cl)s2)cn1
InChIInChI=1S/C12H13ClN2OS/c1-16-12-5-2-9(7-15-12)6-14-8-10-3-4-11(13)17-10/h2-5,7,14H,6,8H2,1H3
InChIKeyVQULZOPRBDDILJ-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.09
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (PubChem CID 28712760) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
PubChem CID28712760
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Cl)s2)cn1
InChIInChI=1S/C12H13ClN2OS/c1-16-12-5-2-9(7-15-12)6-14-8-10-3-4-11(13)17-10/h2-5,7,14H,6,8H2,1H3
InChIKeyVQULZOPRBDDILJ-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 43770454
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859
1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 63001164
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 54977668
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
CID 115212752
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-[(5-bromofuran-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712167
1-(6-methoxy-3-pyridinyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748169
N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 66161046
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine (CID 28712760) is N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is COc1ccc(CNCc2ccc(Cl)s2)cn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
The InChIKey is VQULZOPRBDDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-16-12-5-2-9(7-15-12)6-14-8-10-3-4-11(13)17-10/h2-5,7,14H,6,8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine has a molecular weight of 268.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 28712760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).