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

C15H22F2N2O — CID 64533307

IUPACN-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCC(C)N1CCOC(CNCc2ccc(F)cc2F)C1
InChIInChI=1S/C15H22F2N2O/c1-11(2)19-5-6-20-14(10-19)9-18-8-12-3-4-13(16)7-15(12)17/h3-4,7,11,14,18H,5-6,8-10H2,1-2H3
InChIKeyZYPZZVGRDWDXKM-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.16
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine (PubChem CID 64533307) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
PubChem CID64533307
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCC(C)N1CCOC(CNCc2ccc(F)cc2F)C1
InChIInChI=1S/C15H22F2N2O/c1-11(2)19-5-6-20-14(10-19)9-18-8-12-3-4-13(16)7-15(12)17/h3-4,7,11,14,18H,5-6,8-10H2,1-2H3
InChIKeyZYPZZVGRDWDXKM-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78946861
N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64681381
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 65244123
N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64535311
N-[(2-bromo-4-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758037
2-(2,4-dichlorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535306
2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533688
2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533093
1-(4-ethylmorpholin-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968124
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 64535519

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine (CID 64533307) is N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine is CC(C)N1CCOC(CNCc2ccc(F)cc2F)C1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The InChIKey is ZYPZZVGRDWDXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11(2)19-5-6-20-14(10-19)9-18-8-12-3-4-13(16)7-15(12)17/h3-4,7,11,14,18H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine has a molecular weight of 284.35 g/mol, XLogP of 2.16, 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-propan-2-ylmorpholin-2-yl)methanamine is sourced from PubChem (CID 64533307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).