(1R)-2-(2-methylphenoxy)-1-phenylethanamine

C15H17NO — CID 25058834

IUPAC(1R)-2-(2-methylphenoxy)-1-phenylethanamine
SMILESCc1ccccc1OC[C@H](N)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13/h2-10,14H,11,16H2,1H3/t14-/m0/s1
InChIKeyLWPPQUIJVVJEKU-AWEZNQCLSA-N
MW227.31 g/mol
LogP3.07
Rot. Bonds4

About (1R)-2-(2-methylphenoxy)-1-phenylethanamine

(1R)-2-(2-methylphenoxy)-1-phenylethanamine (PubChem CID 25058834) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1R)-2-(2-methylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-2-(2-methylphenoxy)-1-phenylethanamine
PubChem CID25058834
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1R)-2-(2-methylphenoxy)-1-phenylethanamine
SMILESCc1ccccc1OC[C@H](N)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13/h2-10,14H,11,16H2,1H3/t14-/m0/s1
InChIKeyLWPPQUIJVVJEKU-AWEZNQCLSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-methylphenoxy)-1-phenylethanamine?
The IUPAC name of (1R)-2-(2-methylphenoxy)-1-phenylethanamine (CID 25058834) is (1R)-2-(2-methylphenoxy)-1-phenylethanamine.
What is the SMILES notation for (1R)-2-(2-methylphenoxy)-1-phenylethanamine?
The canonical SMILES for (1R)-2-(2-methylphenoxy)-1-phenylethanamine is Cc1ccccc1OC[C@H](N)c1ccccc1.
What is the InChIKey of (1R)-2-(2-methylphenoxy)-1-phenylethanamine?
The InChIKey is LWPPQUIJVVJEKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13/h2-10,14H,11,16H2,1H3/t14-/m0/s1.
What are the key properties of (1R)-2-(2-methylphenoxy)-1-phenylethanamine?
(1R)-2-(2-methylphenoxy)-1-phenylethanamine has a molecular weight of 227.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-methylphenoxy)-1-phenylethanamine is sourced from PubChem (CID 25058834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).