2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine

C10H16ClNS — CID 143164807

IUPAC2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine
SMILESCCc1cc(Cl)sc1C(C)CNC
InChIInChI=1S/C10H16ClNS/c1-4-8-5-9(11)13-10(8)7(2)6-12-3/h5,7,12H,4,6H2,1-3H3
InChIKeyQXSDJFCLCPRJQP-UHFFFAOYSA-N
MW217.76 g/mol
LogP3.29
Rot. Bonds4

About 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine

2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine (PubChem CID 143164807) has the molecular formula C10H16ClNS and a molecular weight of 217.76 g/mol. Its IUPAC name is 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine
PubChem CID143164807
Molecular FormulaC10H16ClNS
Molecular Weight217.76 g/mol
Exact Mass217.07
IUPAC Name2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine
SMILESCCc1cc(Cl)sc1C(C)CNC
InChIInChI=1S/C10H16ClNS/c1-4-8-5-9(11)13-10(8)7(2)6-12-3/h5,7,12H,4,6H2,1-3H3
InChIKeyQXSDJFCLCPRJQP-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine (CID 143164807) is 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine is CCc1cc(Cl)sc1C(C)CNC.
What is the InChIKey of 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine?
The InChIKey is QXSDJFCLCPRJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS/c1-4-8-5-9(11)13-10(8)7(2)6-12-3/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine?
2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine has a molecular weight of 217.76 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-ethylthiophen-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 143164807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).