1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C19H28N4O — CID 124694603

IUPAC1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESC[C@H]1CN(Cc2ccccc2CNCc2cnn(C)c2)C[C@H](C)O1
InChIInChI=1S/C19H28N4O/c1-15-11-23(12-16(2)24-15)14-19-7-5-4-6-18(19)10-20-8-17-9-21-22(3)13-17/h4-7,9,13,15-16,20H,8,10-12,14H2,1-3H3/t15-,16-/m0/s1
InChIKeyHIDBMNIFFYHHRM-HOTGVXAUSA-N
MW328.46 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 124694603) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID124694603
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESC[C@H]1CN(Cc2ccccc2CNCc2cnn(C)c2)C[C@H](C)O1
InChIInChI=1S/C19H28N4O/c1-15-11-23(12-16(2)24-15)14-19-7-5-4-6-18(19)10-20-8-17-9-21-22(3)13-17/h4-7,9,13,15-16,20H,8,10-12,14H2,1-3H3/t15-,16-/m0/s1
InChIKeyHIDBMNIFFYHHRM-HOTGVXAUSA-N
XLogP2.32
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 124689981
4-[[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methylamino]methyl]benzonitrile
CID 94195868
N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 124528166
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
(2S)-2-[4-[[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methylamino]methyl]phenoxy]propanenitrile
CID 124694580
1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 124542687
2-bromo-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 61392128
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
2-chloro-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112554197
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 124694603) is 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is C[C@H]1CN(Cc2ccccc2CNCc2cnn(C)c2)C[C@H](C)O1.
What is the InChIKey of 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is HIDBMNIFFYHHRM-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-11-23(12-16(2)24-15)14-19-7-5-4-6-18(19)10-20-8-17-9-21-22(3)13-17/h4-7,9,13,15-16,20H,8,10-12,14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 328.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 124694603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).