N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C17H25N5O — CID 128986917

IUPACN-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCN(Cc1nncn1C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C17H25N5O/c1-20(12-16-19-18-13-22(16)3)11-15-17(21(2)9-10-23-15)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyILHDCCWRAFRDJF-RDJZCZTQSA-N
MW315.42 g/mol
LogP1.32
Rot. Bonds5

About N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 128986917) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID128986917
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCN(Cc1nncn1C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C17H25N5O/c1-20(12-16-19-18-13-22(16)3)11-15-17(21(2)9-10-23-15)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyILHDCCWRAFRDJF-RDJZCZTQSA-N
XLogP1.32
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 128986917) is N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is CN(Cc1nncn1C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1.
What is the InChIKey of N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is ILHDCCWRAFRDJF-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H25N5O/c1-20(12-16-19-18-13-22(16)3)11-15-17(21(2)9-10-23-15)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 315.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 128986917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).