(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine

C14H20F2N2O — CID 95291844

IUPAC(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-10(13-4-3-11(15)7-14(13)16)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeySLLAREORTVXEGV-CMPLNLGQSA-N
MW270.32 g/mol
LogP1.95
Rot. Bonds4

About (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine

(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine (PubChem CID 95291844) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
PubChem CID95291844
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-10(13-4-3-11(15)7-14(13)16)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeySLLAREORTVXEGV-CMPLNLGQSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine with MolForge

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 103901638
1-(2,4-dichloro-5-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79083307
1-(2,5-dimethylphenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78946775
1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79164229
1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 78997863
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine (CID 95291844) is (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine is C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)cc1F.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine?
The InChIKey is SLLAREORTVXEGV-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10(13-4-3-11(15)7-14(13)16)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine?
(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine has a molecular weight of 270.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine is sourced from PubChem (CID 95291844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).