N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine

C18H29FN2O — CID 126684615

IUPACN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
SMILESCC(C)c1cc(F)cc(CNC(C)(C)CN2CCOCC2)c1
InChIInChI=1S/C18H29FN2O/c1-14(2)16-9-15(10-17(19)11-16)12-20-18(3,4)13-21-5-7-22-8-6-21/h9-11,14,20H,5-8,12-13H2,1-4H3
InChIKeyNGKBTMXXILVVMV-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.15
Rot. Bonds6

About N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine

N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine (PubChem CID 126684615) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
PubChem CID126684615
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC NameN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine
SMILESCC(C)c1cc(F)cc(CNC(C)(C)CN2CCOCC2)c1
InChIInChI=1S/C18H29FN2O/c1-14(2)16-9-15(10-17(19)11-16)12-20-18(3,4)13-21-5-7-22-8-6-21/h9-11,14,20H,5-8,12-13H2,1-4H3
InChIKeyNGKBTMXXILVVMV-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine (CID 126684615) is N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine is CC(C)c1cc(F)cc(CNC(C)(C)CN2CCOCC2)c1.
What is the InChIKey of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
The InChIKey is NGKBTMXXILVVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O/c1-14(2)16-9-15(10-17(19)11-16)12-20-18(3,4)13-21-5-7-22-8-6-21/h9-11,14,20H,5-8,12-13H2,1-4H3.
What are the key properties of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine?
N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine has a molecular weight of 308.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-2-methyl-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 126684615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).