(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

C22H24FNOS — CID 2043187

IUPAC(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCOc1ccc([C@H](CCN[C@H](C)c2cccs2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNOS/c1-16(22-4-3-15-26-22)24-14-13-21(17-5-9-19(23)10-6-17)18-7-11-20(25-2)12-8-18/h3-12,15-16,21,24H,13-14H2,1-2H3/t16-,21-/m1/s1
InChIKeyDHVFCGXMEZIXNM-IIBYNOLFSA-N
MW369.51 g/mol
LogP5.77
Rot. Bonds8

About (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 2043187) has the molecular formula C22H24FNOS and a molecular weight of 369.51 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID2043187
Molecular FormulaC22H24FNOS
Molecular Weight369.51 g/mol
Exact Mass369.16
IUPAC Name(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCOc1ccc([C@H](CCN[C@H](C)c2cccs2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNOS/c1-16(22-4-3-15-26-22)24-14-13-21(17-5-9-19(23)10-6-17)18-7-11-20(25-2)12-8-18/h3-12,15-16,21,24H,13-14H2,1-2H3/t16-,21-/m1/s1
InChIKeyDHVFCGXMEZIXNM-IIBYNOLFSA-N
XLogP5.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (CID 2043187) is (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is COc1ccc([C@H](CCN[C@H](C)c2cccs2)c2ccc(F)cc2)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is DHVFCGXMEZIXNM-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H24FNOS/c1-16(22-4-3-15-26-22)24-14-13-21(17-5-9-19(23)10-6-17)18-7-11-20(25-2)12-8-18/h3-12,15-16,21,24H,13-14H2,1-2H3/t16-,21-/m1/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 369.51 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 2043187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).