1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine

C22H34N4O — CID 124542687

IUPAC1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCCn1nc(C)c(CNCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C22H34N4O/c1-6-26-19(5)22(18(4)24-26)12-23-11-20-9-7-8-10-21(20)15-25-13-16(2)27-17(3)14-25/h7-10,16-17,23H,6,11-15H2,1-5H3/t16-,17+
InChIKeyNXGUFYHZJDDYIM-CALCHBBNSA-N
MW370.54 g/mol
LogP3.42
Rot. Bonds7

About 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine

1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 124542687) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID124542687
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCCn1nc(C)c(CNCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C22H34N4O/c1-6-26-19(5)22(18(4)24-26)12-23-11-20-9-7-8-10-21(20)15-25-13-16(2)27-17(3)14-25/h7-10,16-17,23H,6,11-15H2,1-5H3/t16-,17+
InChIKeyNXGUFYHZJDDYIM-CALCHBBNSA-N
XLogP3.42
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 124542687) is 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine is CCn1nc(C)c(CNCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c1C.
What is the InChIKey of 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is NXGUFYHZJDDYIM-CALCHBBNSA-N. The full InChI is InChI=1S/C22H34N4O/c1-6-26-19(5)22(18(4)24-26)12-23-11-20-9-7-8-10-21(20)15-25-13-16(2)27-17(3)14-25/h7-10,16-17,23H,6,11-15H2,1-5H3/t16-,17+.
What are the key properties of 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 370.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 124542687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).