(1S)-2-(4-chlorophenoxy)-1-phenylethanamine

C14H14ClNO — CID 11459294

IUPAC(1S)-2-(4-chlorophenoxy)-1-phenylethanamine
SMILESN[C@H](COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClNO/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1
InChIKeyFQAYHCZZIQWNJB-CQSZACIVSA-N
MW247.73 g/mol
LogP3.42
Rot. Bonds4

About (1S)-2-(4-chlorophenoxy)-1-phenylethanamine

(1S)-2-(4-chlorophenoxy)-1-phenylethanamine (PubChem CID 11459294) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is (1S)-2-(4-chlorophenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2-(4-chlorophenoxy)-1-phenylethanamine
PubChem CID11459294
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name(1S)-2-(4-chlorophenoxy)-1-phenylethanamine
SMILESN[C@H](COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClNO/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1
InChIKeyFQAYHCZZIQWNJB-CQSZACIVSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-chlorophenoxy)-1-phenylethanamine?
The IUPAC name of (1S)-2-(4-chlorophenoxy)-1-phenylethanamine (CID 11459294) is (1S)-2-(4-chlorophenoxy)-1-phenylethanamine.
What is the SMILES notation for (1S)-2-(4-chlorophenoxy)-1-phenylethanamine?
The canonical SMILES for (1S)-2-(4-chlorophenoxy)-1-phenylethanamine is N[C@H](COc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (1S)-2-(4-chlorophenoxy)-1-phenylethanamine?
The InChIKey is FQAYHCZZIQWNJB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m1/s1.
What are the key properties of (1S)-2-(4-chlorophenoxy)-1-phenylethanamine?
(1S)-2-(4-chlorophenoxy)-1-phenylethanamine has a molecular weight of 247.73 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-chlorophenoxy)-1-phenylethanamine is sourced from PubChem (CID 11459294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).