(1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine

C15H16ClNO — CID 11391352

IUPAC(1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine
SMILESCc1cc(Cl)ccc1OC[C@H](N)c1ccccc1
InChIInChI=1S/C15H16ClNO/c1-11-9-13(16)7-8-15(11)18-10-14(17)12-5-3-2-4-6-12/h2-9,14H,10,17H2,1H3/t14-/m0/s1
InChIKeyJZZKJJMWSITZMV-AWEZNQCLSA-N
MW261.75 g/mol
LogP3.73
Rot. Bonds4

About (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine

(1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine (PubChem CID 11391352) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine
PubChem CID11391352
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine
SMILESCc1cc(Cl)ccc1OC[C@H](N)c1ccccc1
InChIInChI=1S/C15H16ClNO/c1-11-9-13(16)7-8-15(11)18-10-14(17)12-5-3-2-4-6-12/h2-9,14H,10,17H2,1H3/t14-/m0/s1
InChIKeyJZZKJJMWSITZMV-AWEZNQCLSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine?
The IUPAC name of (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine (CID 11391352) is (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine.
What is the SMILES notation for (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine?
The canonical SMILES for (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine is Cc1cc(Cl)ccc1OC[C@H](N)c1ccccc1.
What is the InChIKey of (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine?
The InChIKey is JZZKJJMWSITZMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-9-13(16)7-8-15(11)18-10-14(17)12-5-3-2-4-6-12/h2-9,14H,10,17H2,1H3/t14-/m0/s1.
What are the key properties of (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine?
(1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-chloro-2-methylphenoxy)-1-phenylethanamine is sourced from PubChem (CID 11391352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).