1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride

C18H23Cl2NO2 — CID 2881934

IUPAC1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(O)CNC(C)c1ccccc1.Cl
InChIInChI=1S/C18H22ClNO2.ClH/c1-13-10-16(19)8-9-18(13)22-12-17(21)11-20-14(2)15-6-4-3-5-7-15;/h3-10,14,17,20-21H,11-12H2,1-2H3;1H
InChIKeyIMSPSRDERXEFNL-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.16
Rot. Bonds7

About 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride

1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride (PubChem CID 2881934) has the molecular formula C18H23Cl2NO2 and a molecular weight of 356.29 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
PubChem CID2881934
Molecular FormulaC18H23Cl2NO2
Molecular Weight356.29 g/mol
Exact Mass355.11
IUPAC Name1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(O)CNC(C)c1ccccc1.Cl
InChIInChI=1S/C18H22ClNO2.ClH/c1-13-10-16(19)8-9-18(13)22-12-17(21)11-20-14(2)15-6-4-3-5-7-15;/h3-10,14,17,20-21H,11-12H2,1-2H3;1H
InChIKeyIMSPSRDERXEFNL-UHFFFAOYSA-N
XLogP4.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride (CID 2881934) is 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride is Cc1cc(Cl)ccc1OCC(O)CNC(C)c1ccccc1.Cl.
What is the InChIKey of 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The InChIKey is IMSPSRDERXEFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2.ClH/c1-13-10-16(19)8-9-18(13)22-12-17(21)11-20-14(2)15-6-4-3-5-7-15;/h3-10,14,17,20-21H,11-12H2,1-2H3;1H.
What are the key properties of 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride has a molecular weight of 356.29 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2881934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).