N-[(1R)-2-methoxy-1-phenylethyl]ethanimine

C11H15NO — CID 11041267

IUPACN-[(1R)-2-methoxy-1-phenylethyl]ethanimine
SMILESC/C=N/[C@@H](COC)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-12-11(9-13-2)10-7-5-4-6-8-10/h3-8,11H,9H2,1-2H3/b12-3+/t11-/m0/s1
InChIKeyRXPMZNXXXINJGZ-RYHFPONZSA-N
MW177.25 g/mol
LogP2.46
Rot. Bonds4

About N-[(1R)-2-methoxy-1-phenylethyl]ethanimine

N-[(1R)-2-methoxy-1-phenylethyl]ethanimine (PubChem CID 11041267) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]ethanimine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]ethanimine
PubChem CID11041267
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]ethanimine
SMILESC/C=N/[C@@H](COC)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-12-11(9-13-2)10-7-5-4-6-8-10/h3-8,11H,9H2,1-2H3/b12-3+/t11-/m0/s1
InChIKeyRXPMZNXXXINJGZ-RYHFPONZSA-N
XLogP2.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-Rexamino
CID 11116360
AG-H-02521
CID 5325154
Rexamino
CID 10654553
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
2-Methoxy-1-phenylethan-1-amine
CID 11105539
1-(4-Fluorophenyl)-2-methoxyethan-1-amine
CID 16794201
2-Methoxy-1-phenylethan-1-amine hydrochloride
CID 19693359
(R)-2-Methoxy-1-phenylethanamine hydrochloride
CID 66589172
(1S)-2-methoxy-1-phenylethan-1-amine hydrochloride
CID 70182818
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]ethanimine?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]ethanimine (CID 11041267) is N-[(1R)-2-methoxy-1-phenylethyl]ethanimine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]ethanimine?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]ethanimine is C/C=N/[C@@H](COC)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]ethanimine?
The InChIKey is RXPMZNXXXINJGZ-RYHFPONZSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-12-11(9-13-2)10-7-5-4-6-8-10/h3-8,11H,9H2,1-2H3/b12-3+/t11-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]ethanimine?
N-[(1R)-2-methoxy-1-phenylethyl]ethanimine has a molecular weight of 177.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]ethanimine is sourced from PubChem (CID 11041267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).