2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine

C13H15ClN2OS — CID 65484519

IUPAC2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine
SMILESCSCc1ccc(CNc2c(C)ccnc2Cl)o1
InChIInChI=1S/C13H15ClN2OS/c1-9-5-6-15-13(14)12(9)16-7-10-3-4-11(17-10)8-18-2/h3-6,16H,7-8H2,1-2H3
InChIKeyCNLCXNQTCABUPP-UHFFFAOYSA-N
MW282.80 g/mol
LogP4.11
Rot. Bonds5

About 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine

2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine (PubChem CID 65484519) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine
PubChem CID65484519
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine
SMILESCSCc1ccc(CNc2c(C)ccnc2Cl)o1
InChIInChI=1S/C13H15ClN2OS/c1-9-5-6-15-13(14)12(9)16-7-10-3-4-11(17-10)8-18-2/h3-6,16H,7-8H2,1-2H3
InChIKeyCNLCXNQTCABUPP-UHFFFAOYSA-N
XLogP4.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
CID 65485112
2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
CID 103088102
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
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 81311469
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 103934147
4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide
CID 65483750
N-butyl-2-chloro-4-methylpyridin-3-amine
CID 65483347

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine (CID 65484519) is 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine is CSCc1ccc(CNc2c(C)ccnc2Cl)o1.
What is the InChIKey of 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine?
The InChIKey is CNLCXNQTCABUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-9-5-6-15-13(14)12(9)16-7-10-3-4-11(17-10)8-18-2/h3-6,16H,7-8H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine?
2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine has a molecular weight of 282.80 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 65484519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).