1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine

C14H15ClFNS — CID 62602142

IUPAC1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-17-12(9-13-5-6-14(15)18-13)8-10-3-2-4-11(16)7-10/h2-7,12,17H,8-9H2,1H3
InChIKeyIDAWPIBZMMQEAZ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.91
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine

1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 62602142) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
PubChem CID62602142
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-17-12(9-13-5-6-14(15)18-13)8-10-3-2-4-11(16)7-10/h2-7,12,17H,8-9H2,1H3
InChIKeyIDAWPIBZMMQEAZ-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine (CID 62602142) is 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(F)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is IDAWPIBZMMQEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-17-12(9-13-5-6-14(15)18-13)8-10-3-2-4-11(16)7-10/h2-7,12,17H,8-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 62602142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).