(1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine

C20H24F2N2O — CID 97229314

IUPAC(1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine
SMILESC[C@H](NCc1ccccc1CN1CCOCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H24F2N2O/c1-15(18-10-19(21)12-20(22)11-18)23-13-16-4-2-3-5-17(16)14-24-6-8-25-9-7-24/h2-5,10-12,15,23H,6-9,13-14H2,1H3/t15-/m0/s1
InChIKeyPQNYILCKKQWOKL-HNNXBMFYSA-N
MW346.42 g/mol
LogP3.65
Rot. Bonds6

About (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine

(1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 97229314) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine
PubChem CID97229314
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name(1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine
SMILESC[C@H](NCc1ccccc1CN1CCOCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H24F2N2O/c1-15(18-10-19(21)12-20(22)11-18)23-13-16-4-2-3-5-17(16)14-24-6-8-25-9-7-24/h2-5,10-12,15,23H,6-9,13-14H2,1H3/t15-/m0/s1
InChIKeyPQNYILCKKQWOKL-HNNXBMFYSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine (CID 97229314) is (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine is C[C@H](NCc1ccccc1CN1CCOCC1)c1cc(F)cc(F)c1.
What is the InChIKey of (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is PQNYILCKKQWOKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c1-15(18-10-19(21)12-20(22)11-18)23-13-16-4-2-3-5-17(16)14-24-6-8-25-9-7-24/h2-5,10-12,15,23H,6-9,13-14H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine?
(1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 346.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-difluorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 97229314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).