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

C11H11ClN2S — CID 83296628

IUPAC1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESClc1ncccc1CNCc1cccs1
InChIInChI=1S/C11H11ClN2S/c12-11-9(3-1-5-14-11)7-13-8-10-4-2-6-15-10/h1-6,13H,7-8H2
InChIKeyOMYUJXNFLYELOS-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.09
Rot. Bonds4

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

1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 83296628) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID83296628
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESClc1ncccc1CNCc1cccs1
InChIInChI=1S/C11H11ClN2S/c12-11-9(3-1-5-14-11)7-13-8-10-4-2-6-15-10/h1-6,13H,7-8H2
InChIKeyOMYUJXNFLYELOS-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.09
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;hydrochloride
CID 115604829
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
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-3-pyridinyl)methanamine
CID 115614240
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 70896653
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 43583687
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine (CID 83296628) is 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine is Clc1ncccc1CNCc1cccs1.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is OMYUJXNFLYELOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-11-9(3-1-5-14-11)7-13-8-10-4-2-6-15-10/h1-6,13H,7-8H2.
What are the key properties of 1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 238.74 g/mol, XLogP of 3.09, 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 is sourced from PubChem (CID 83296628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).