2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine

C14H17ClN2S — CID 65484697

IUPAC2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine
SMILESCc1cc(C(C)Nc2c(C)ccnc2Cl)c(C)s1
InChIInChI=1S/C14H17ClN2S/c1-8-5-6-16-14(15)13(8)17-10(3)12-7-9(2)18-11(12)4/h5-7,10,17H,1-4H3
InChIKeyHBRKQKSAWBUXMX-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.89
Rot. Bonds3

About 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine

2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine (PubChem CID 65484697) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine
PubChem CID65484697
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine
SMILESCc1cc(C(C)Nc2c(C)ccnc2Cl)c(C)s1
InChIInChI=1S/C14H17ClN2S/c1-8-5-6-16-14(15)13(8)17-10(3)12-7-9(2)18-11(12)4/h5-7,10,17H,1-4H3
InChIKeyHBRKQKSAWBUXMX-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine (CID 65484697) is 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine is Cc1cc(C(C)Nc2c(C)ccnc2Cl)c(C)s1.
What is the InChIKey of 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine?
The InChIKey is HBRKQKSAWBUXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-8-5-6-16-14(15)13(8)17-10(3)12-7-9(2)18-11(12)4/h5-7,10,17H,1-4H3.
What are the key properties of 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine?
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine has a molecular weight of 280.82 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65484697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).