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

C12H13ClN2S — CID 63305597

IUPAC1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2S/c1-9-3-2-6-15-11(9)8-14-7-10-4-5-12(13)16-10/h2-6,14H,7-8H2,1H3
InChIKeyAAVSSZCMCWBPHR-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.39
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 63305597) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID63305597
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2S/c1-9-3-2-6-15-11(9)8-14-7-10-4-5-12(13)16-10/h2-6,14H,7-8H2,1H3
InChIKeyAAVSSZCMCWBPHR-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102835716
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305367
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
1-(5-chlorothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 115655848
1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 55598709
N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708538
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 63305848
N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 112650189
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306088
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 63305597) is 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is Cc1cccnc1CNCc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is AAVSSZCMCWBPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-9-3-2-6-15-11(9)8-14-7-10-4-5-12(13)16-10/h2-6,14H,7-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 252.77 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 63305597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).