1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C11H12Cl2N2S — CID 115604829

IUPAC1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ncccc1CNCc1cccs1
InChIInChI=1S/C11H11ClN2S.ClH/c12-11-9(3-1-5-14-11)7-13-8-10-4-2-6-15-10;/h1-6,13H,7-8H2;1H
InChIKeyHRWKXZBBIQWSAF-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 115604829) has the molecular formula C11H12Cl2N2S and a molecular weight of 275.20 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID115604829
Molecular FormulaC11H12Cl2N2S
Molecular Weight275.20 g/mol
Exact Mass274.01
IUPAC Name1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ncccc1CNCc1cccs1
InChIInChI=1S/C11H11ClN2S.ClH/c12-11-9(3-1-5-14-11)7-13-8-10-4-2-6-15-10;/h1-6,13H,7-8H2;1H
InChIKeyHRWKXZBBIQWSAF-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 83296628
1-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 78928667
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 115614207
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-3-pyridinyl)methanamine
CID 115614240
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 70896653

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 115604829) is 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.Clc1ncccc1CNCc1cccs1.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is HRWKXZBBIQWSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S.ClH/c12-11-9(3-1-5-14-11)7-13-8-10-4-2-6-15-10;/h1-6,13H,7-8H2;1H.
What are the key properties of 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 275.20 g/mol, XLogP of 3.51, 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-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 115604829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).