1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride

C12H14Cl2N2S — CID 115614207

IUPAC1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
SMILESCc1ccsc1CNCc1cccnc1Cl.Cl
InChIInChI=1S/C12H13ClN2S.ClH/c1-9-4-6-16-11(9)8-14-7-10-3-2-5-15-12(10)13;/h2-6,14H,7-8H2,1H3;1H
InChIKeyHIBMOUKCEWTNSB-UHFFFAOYSA-N
MW289.23 g/mol
LogP3.82
Rot. Bonds4

About 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride

1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride (PubChem CID 115614207) has the molecular formula C12H14Cl2N2S and a molecular weight of 289.23 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
PubChem CID115614207
Molecular FormulaC12H14Cl2N2S
Molecular Weight289.23 g/mol
Exact Mass288.03
IUPAC Name1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
SMILESCc1ccsc1CNCc1cccnc1Cl.Cl
InChIInChI=1S/C12H13ClN2S.ClH/c1-9-4-6-16-11(9)8-14-7-10-3-2-5-15-12(10)13;/h2-6,14H,7-8H2,1H3;1H
InChIKeyHIBMOUKCEWTNSB-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115697393
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115604829
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 83296628
2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 78997965
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113225343
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
2,4-dichloro-6-[[(3-methylthiophen-2-yl)methylamino]methyl]phenol
CID 78916524
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-3-pyridinyl)methanamine
CID 115614240

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride (CID 115614207) is 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride is Cc1ccsc1CNCc1cccnc1Cl.Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride?
The InChIKey is HIBMOUKCEWTNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S.ClH/c1-9-4-6-16-11(9)8-14-7-10-3-2-5-15-12(10)13;/h2-6,14H,7-8H2,1H3;1H.
What are the key properties of 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride?
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride has a molecular weight of 289.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 115614207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).