(2R)-2-methoxy-2-phenoxyethanamine

C9H13NO2 — CID 95474045

IUPAC(2R)-2-methoxy-2-phenoxyethanamine
SMILESCO[C@@H](CN)Oc1ccccc1
InChIInChI=1S/C9H13NO2/c1-11-9(7-10)12-8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3/t9-/m1/s1
InChIKeySEYCPSNXYZIAKA-SECBINFHSA-N
MW167.21 g/mol
LogP1.00
Rot. Bonds4

About (2R)-2-methoxy-2-phenoxyethanamine

(2R)-2-methoxy-2-phenoxyethanamine (PubChem CID 95474045) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (2R)-2-methoxy-2-phenoxyethanamine.

Molecular Properties

Compound Name(2R)-2-methoxy-2-phenoxyethanamine
PubChem CID95474045
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(2R)-2-methoxy-2-phenoxyethanamine
SMILESCO[C@@H](CN)Oc1ccccc1
InChIInChI=1S/C9H13NO2/c1-11-9(7-10)12-8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3/t9-/m1/s1
InChIKeySEYCPSNXYZIAKA-SECBINFHSA-N
XLogP1.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-3-phenoxypropan-1-ol
CID 119087893
1-methoxydecoxybenzene
CID 24977925
1-methoxyethoxybenzene
CID 18188895
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-phenoxy-2-phenylethanamine chloride
CID 21228850
methoxy(triphenoxy)phosphanium
CID 175056731
(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
CID 19424117
1-ethenoxypropoxybenzene
CID 20548165
diethyl(1-phenoxypropoxy)alumane
CID 139905359
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
1,1-dimethoxypropane;toluene
CID 91421331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-phenoxyethanamine?
The IUPAC name of (2R)-2-methoxy-2-phenoxyethanamine (CID 95474045) is (2R)-2-methoxy-2-phenoxyethanamine.
What is the SMILES notation for (2R)-2-methoxy-2-phenoxyethanamine?
The canonical SMILES for (2R)-2-methoxy-2-phenoxyethanamine is CO[C@@H](CN)Oc1ccccc1.
What is the InChIKey of (2R)-2-methoxy-2-phenoxyethanamine?
The InChIKey is SEYCPSNXYZIAKA-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-9(7-10)12-8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-phenoxyethanamine?
(2R)-2-methoxy-2-phenoxyethanamine has a molecular weight of 167.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-phenoxyethanamine is sourced from PubChem (CID 95474045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).