1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C16H20ClFN2S — CID 120909434

IUPAC1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2ccc(-c3ccc(F)cc3)s2)CC1N.Cl
InChIInChI=1S/C16H19FN2S.ClH/c1-11-8-19(10-15(11)18)9-14-6-7-16(20-14)12-2-4-13(17)5-3-12;/h2-7,11,15H,8-10,18H2,1H3;1H
InChIKeyWEWQLJCADKVBSP-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.76
Rot. Bonds3

About 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909434) has the molecular formula C16H20ClFN2S and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909434
Molecular FormulaC16H20ClFN2S
Molecular Weight326.87 g/mol
Exact Mass326.10
IUPAC Name1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2ccc(-c3ccc(F)cc3)s2)CC1N.Cl
InChIInChI=1S/C16H19FN2S.ClH/c1-11-8-19(10-15(11)18)9-14-6-7-16(20-14)12-2-4-13(17)5-3-12;/h2-7,11,15H,8-10,18H2,1H3;1H
InChIKeyWEWQLJCADKVBSP-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909434) is 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(Cc2ccc(-c3ccc(F)cc3)s2)CC1N.Cl.
What is the InChIKey of 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is WEWQLJCADKVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S.ClH/c1-11-8-19(10-15(11)18)9-14-6-7-16(20-14)12-2-4-13(17)5-3-12;/h2-7,11,15H,8-10,18H2,1H3;1H.
What are the key properties of 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).