[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine

C12H18N2O — CID 124832574

IUPAC[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@H](CN)[C@H]1c1ccccc1
InChIInChI=1S/C12H18N2O/c1-14-7-8-15-11(9-13)12(14)10-5-3-2-4-6-10/h2-6,11-12H,7-9,13H2,1H3/t11-,12-/m1/s1
InChIKeyHFCLSNXNNDZCMZ-VXGBXAGGSA-N
MW206.29 g/mol
LogP1.02
Rot. Bonds2

About [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine

[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine (PubChem CID 124832574) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
PubChem CID124832574
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@H](CN)[C@H]1c1ccccc1
InChIInChI=1S/C12H18N2O/c1-14-7-8-15-11(9-13)12(14)10-5-3-2-4-6-10/h2-6,11-12H,7-9,13H2,1H3/t11-,12-/m1/s1
InChIKeyHFCLSNXNNDZCMZ-VXGBXAGGSA-N
XLogP1.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-4-methyl-3-(2-methylpyrazol-3-yl)morpholin-2-yl]methanamine
CID 124602691
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128983342
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 128986917
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
CID 122057321
[(4R,5R)-3-methyl-4-phenyl-1,3-oxazolidin-5-yl]methanol
CID 101352281
N,2,4-trimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 128988754
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
CID 115529030
[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine
CID 66161936
N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 79971167
[3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine
CID 79978573

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine?
The IUPAC name of [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine (CID 124832574) is [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine.
What is the SMILES notation for [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine?
The canonical SMILES for [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine is CN1CCO[C@H](CN)[C@H]1c1ccccc1.
What is the InChIKey of [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine?
The InChIKey is HFCLSNXNNDZCMZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-8-15-11(9-13)12(14)10-5-3-2-4-6-10/h2-6,11-12H,7-9,13H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine?
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine is sourced from PubChem (CID 124832574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).