methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate

C11H16N2O2 — CID 20697397

IUPACmethyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate
SMILES[H]/N=C(\OC)C(O)C(NC)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-13-9(10(14)11(12)15-2)8-6-4-3-5-7-8/h3-7,9-10,12-14H,1-2H3/b12-11-
InChIKeySAKFTRLIWDQSDA-QXMHVHEDSA-N
MW208.26 g/mol
LogP0.93
Rot. Bonds4

About methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate

methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate (PubChem CID 20697397) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate
PubChem CID20697397
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate
SMILES[H]/N=C(\OC)C(O)C(NC)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-13-9(10(14)11(12)15-2)8-6-4-3-5-7-8/h3-7,9-10,12-14H,1-2H3/b12-11-
InChIKeySAKFTRLIWDQSDA-QXMHVHEDSA-N
XLogP0.93
TPSA65.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-phenylpropanimidate
CID 92977760
cyclodecapentaenyl(methylamino)methanol
CID 129203731
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
methyl 2-hydroxy-3-(hydroxyamino)-3-phenylpropanoate
CID 151638252
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
CID 69396432
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 11448338

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate?
The IUPAC name of methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate (CID 20697397) is methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate.
What is the SMILES notation for methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate?
The canonical SMILES for methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate is [H]/N=C(\OC)C(O)C(NC)c1ccccc1.
What is the InChIKey of methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate?
The InChIKey is SAKFTRLIWDQSDA-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-9(10(14)11(12)15-2)8-6-4-3-5-7-8/h3-7,9-10,12-14H,1-2H3/b12-11-.
What are the key properties of methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate?
methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate has a molecular weight of 208.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(methylamino)-3-phenylpropanimidate is sourced from PubChem (CID 20697397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).