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

C19H28N4O — CID 128976500

IUPAC1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
SMILESCCN1CCO[C@@H](CNCc2ccnn2CC)[C@@H]1c1ccccc1
InChIInChI=1S/C19H28N4O/c1-3-22-12-13-24-18(19(22)16-8-6-5-7-9-16)15-20-14-17-10-11-21-23(17)4-2/h5-11,18-20H,3-4,12-15H2,1-2H3/t18-,19-/m0/s1
InChIKeyHIGWJYUUHCWALN-OALUTQOASA-N
MW328.46 g/mol
LogP2.45
Rot. Bonds7

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

1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine (PubChem CID 128976500) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
PubChem CID128976500
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
SMILESCCN1CCO[C@@H](CNCc2ccnn2CC)[C@@H]1c1ccccc1
InChIInChI=1S/C19H28N4O/c1-3-22-12-13-24-18(19(22)16-8-6-5-7-9-16)15-20-14-17-10-11-21-23(17)4-2/h5-11,18-20H,3-4,12-15H2,1-2H3/t18-,19-/m0/s1
InChIKeyHIGWJYUUHCWALN-OALUTQOASA-N
XLogP2.45
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 132412
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CID 53357600
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CID 16190145
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CID 16192474
CID 16192474
CID 155513256
CID 155513256
CID 3037765
CID 3037765
CID 71710906
CID 71710906
CID 30936167
CID 30936167
CID 45186590
CID 45186590
CID 45239749
CID 45239749
CID 56894626
CID 56894626

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine (CID 128976500) is 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine is CCN1CCO[C@@H](CNCc2ccnn2CC)[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine?
The InChIKey is HIGWJYUUHCWALN-OALUTQOASA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-22-12-13-24-18(19(22)16-8-6-5-7-9-16)15-20-14-17-10-11-21-23(17)4-2/h5-11,18-20H,3-4,12-15H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine?
1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine has a molecular weight of 328.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 128976500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).