1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride

C7H11Cl2NS — CID 46227246

IUPAC1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Cl)cs1.Cl
InChIInChI=1S/C7H10ClNS.ClH/c1-5(9)2-7-3-6(8)4-10-7;/h3-5H,2,9H2,1H3;1H
InChIKeySOKIIZHWNKYYMV-UHFFFAOYSA-N
MW212.15 g/mol
LogP2.71
Rot. Bonds2

About 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride

1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride (PubChem CID 46227246) has the molecular formula C7H11Cl2NS and a molecular weight of 212.15 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride
PubChem CID46227246
Molecular FormulaC7H11Cl2NS
Molecular Weight212.15 g/mol
Exact Mass211.00
IUPAC Name1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Cl)cs1.Cl
InChIInChI=1S/C7H10ClNS.ClH/c1-5(9)2-7-3-6(8)4-10-7;/h3-5H,2,9H2,1H3;1H
InChIKeySOKIIZHWNKYYMV-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride (CID 46227246) is 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride is CC(N)Cc1cc(Cl)cs1.Cl.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride?
The InChIKey is SOKIIZHWNKYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS.ClH/c1-5(9)2-7-3-6(8)4-10-7;/h3-5H,2,9H2,1H3;1H.
What are the key properties of 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride?
1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride has a molecular weight of 212.15 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 46227246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).