(2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol

C17H21NO2 — CID 129196525

IUPAC(2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol
SMILESCOc1c(C)cccc1C(O)NCCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-13-7-6-10-15(16(13)20-2)17(19)18-12-11-14-8-4-3-5-9-14/h3-10,17-19H,11-12H2,1-2H3
InChIKeyVUSGMASWHLZOQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.83
Rot. Bonds6

About (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol

(2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol (PubChem CID 129196525) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol.

Molecular Properties

Compound Name(2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol
PubChem CID129196525
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol
SMILESCOc1c(C)cccc1C(O)NCCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-13-7-6-10-15(16(13)20-2)17(19)18-12-11-14-8-4-3-5-9-14/h3-10,17-19H,11-12H2,1-2H3
InChIKeyVUSGMASWHLZOQX-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol?
The IUPAC name of (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol (CID 129196525) is (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol.
What is the SMILES notation for (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol?
The canonical SMILES for (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol is COc1c(C)cccc1C(O)NCCc1ccccc1.
What is the InChIKey of (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol?
The InChIKey is VUSGMASWHLZOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-7-6-10-15(16(13)20-2)17(19)18-12-11-14-8-4-3-5-9-14/h3-10,17-19H,11-12H2,1-2H3.
What are the key properties of (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol?
(2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol has a molecular weight of 271.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-methylphenyl)-(2-phenylethylamino)methanol is sourced from PubChem (CID 129196525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).