N-[(5-chlorothiophen-2-yl)methyl]ethanamine

C7H10ClNS — CID 2450168

IUPACN-[(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-2-9-5-6-3-4-7(8)10-6/h3-4,9H,2,5H2,1H3
InChIKeyPMWLAERHYHLCCV-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.51
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]ethanamine

N-[(5-chlorothiophen-2-yl)methyl]ethanamine (PubChem CID 2450168) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]ethanamine
PubChem CID2450168
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-2-9-5-6-3-4-7(8)10-6/h3-4,9H,2,5H2,1H3
InChIKeyPMWLAERHYHLCCV-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]ethanamine (CID 2450168) is N-[(5-chlorothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]ethanamine is CCNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The InChIKey is PMWLAERHYHLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-2-9-5-6-3-4-7(8)10-6/h3-4,9H,2,5H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]ethanamine has a molecular weight of 175.68 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 2450168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).