2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine

C11H11ClN2S — CID 65485686

IUPAC2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1ccsc1
InChIInChI=1S/C11H11ClN2S/c1-8-2-4-13-11(12)10(8)14-6-9-3-5-15-7-9/h2-5,7,14H,6H2,1H3
InChIKeyIDRFZGSNEBWENO-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine

2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine (PubChem CID 65485686) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
PubChem CID65485686
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1ccsc1
InChIInChI=1S/C11H11ClN2S/c1-8-2-4-13-11(12)10(8)14-6-9-3-5-15-7-9/h2-5,7,14H,6H2,1H3
InChIKeyIDRFZGSNEBWENO-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.72
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

N-[(4-tert-butylphenyl)methyl]-2-chloro-4-methylpyridin-3-amine
CID 65484317
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
CID 65489501
6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
CID 65484321
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyridin-3-amine
CID 65483729
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
CID 43646117
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 81311469
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 65482959
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine
CID 65483739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine (CID 65485686) is 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine is Cc1ccnc(Cl)c1NCc1ccsc1.
What is the InChIKey of 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine?
The InChIKey is IDRFZGSNEBWENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-8-2-4-13-11(12)10(8)14-6-9-3-5-15-7-9/h2-5,7,14H,6H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine?
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine has a molecular weight of 238.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 65485686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).