N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine

C14H20F2N2O — CID 78946861

IUPACN-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(CNCc2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2O/c1-2-18-5-6-19-13(10-18)9-17-8-11-3-4-12(15)7-14(11)16/h3-4,7,13,17H,2,5-6,8-10H2,1H3
InChIKeyWNRYZOMEIQOTNQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.78
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine

N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine (PubChem CID 78946861) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
PubChem CID78946861
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(CNCc2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2O/c1-2-18-5-6-19-13(10-18)9-17-8-11-3-4-12(15)7-14(11)16/h3-4,7,13,17H,2,5-6,8-10H2,1H3
InChIKeyWNRYZOMEIQOTNQ-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylmorpholin-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968124
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64533307
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,5-difluorobenzonitrile
CID 107039033
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
N-[(2-bromo-4-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758037
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 112705319
N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 112739673
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 115626310
[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
CID 114399817

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine (CID 78946861) is N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine is CCN1CCOC(CNCc2ccc(F)cc2F)C1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The InChIKey is WNRYZOMEIQOTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-2-18-5-6-19-13(10-18)9-17-8-11-3-4-12(15)7-14(11)16/h3-4,7,13,17H,2,5-6,8-10H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine has a molecular weight of 270.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine is sourced from PubChem (CID 78946861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).