(1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C20H19F2NS — CID 94871358

IUPAC(1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)s1
InChIInChI=1S/C20H19F2NS/c1-14-8-9-19(24-14)13-23-20(16-5-3-7-18(22)12-16)11-15-4-2-6-17(21)10-15/h2-10,12,20,23H,11,13H2,1H3/t20-/m0/s1
InChIKeyOWNFGBLFLAKSIO-FQEVSTJZSA-N
MW343.44 g/mol
LogP5.41
Rot. Bonds6

About (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

(1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 94871358) has the molecular formula C20H19F2NS and a molecular weight of 343.44 g/mol. Its IUPAC name is (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID94871358
Molecular FormulaC20H19F2NS
Molecular Weight343.44 g/mol
Exact Mass343.12
IUPAC Name(1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)s1
InChIInChI=1S/C20H19F2NS/c1-14-8-9-19(24-14)13-23-20(16-5-3-7-18(22)12-16)11-15-4-2-6-17(21)10-15/h2-10,12,20,23H,11,13H2,1H3/t20-/m0/s1
InChIKeyOWNFGBLFLAKSIO-FQEVSTJZSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 94871358) is (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)s1.
What is the InChIKey of (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is OWNFGBLFLAKSIO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19F2NS/c1-14-8-9-19(24-14)13-23-20(16-5-3-7-18(22)12-16)11-15-4-2-6-17(21)10-15/h2-10,12,20,23H,11,13H2,1H3/t20-/m0/s1.
What are the key properties of (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
(1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 343.44 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 94871358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).