1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine

C16H17ClFNS — CID 43783010

IUPAC1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
SMILESCC(NC(c1ccc(F)cc1)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClFNS/c1-10(14-8-9-15(17)20-14)19-16(11-2-3-11)12-4-6-13(18)7-5-12/h4-11,16,19H,2-3H2,1H3
InChIKeyLHDPGHOTXQGEQF-UHFFFAOYSA-N
MW309.84 g/mol
LogP5.34
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine (PubChem CID 43783010) has the molecular formula C16H17ClFNS and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
PubChem CID43783010
Molecular FormulaC16H17ClFNS
Molecular Weight309.84 g/mol
Exact Mass309.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
SMILESCC(NC(c1ccc(F)cc1)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClFNS/c1-10(14-8-9-15(17)20-14)19-16(11-2-3-11)12-4-6-13(18)7-5-12/h4-11,16,19H,2-3H2,1H3
InChIKeyLHDPGHOTXQGEQF-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.84
LogP ≤ 55.34
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)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine (CID 43783010) is 1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine is CC(NC(c1ccc(F)cc1)C1CC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is LHDPGHOTXQGEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNS/c1-10(14-8-9-15(17)20-14)19-16(11-2-3-11)12-4-6-13(18)7-5-12/h4-11,16,19H,2-3H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 309.84 g/mol, XLogP of 5.34, 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)-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43783010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).