1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C14H23Cl2NO3 — CID 2843901

IUPAC1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COCCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H22ClNO3.ClH/c1-11(2)16-9-13(17)10-18-7-8-19-14-5-3-12(15)4-6-14;/h3-6,11,13,16-17H,7-10H2,1-2H3;1H
InChIKeySXQIJVPFJKGJMZ-UHFFFAOYSA-N
MW324.25 g/mol
LogP2.52
Rot. Bonds9

About 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 2843901) has the molecular formula C14H23Cl2NO3 and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID2843901
Molecular FormulaC14H23Cl2NO3
Molecular Weight324.25 g/mol
Exact Mass323.11
IUPAC Name1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COCCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H22ClNO3.ClH/c1-11(2)16-9-13(17)10-18-7-8-19-14-5-3-12(15)4-6-14;/h3-6,11,13,16-17H,7-10H2,1-2H3;1H
InChIKeySXQIJVPFJKGJMZ-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 2843901) is 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COCCOc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is SXQIJVPFJKGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3.ClH/c1-11(2)16-9-13(17)10-18-7-8-19-14-5-3-12(15)4-6-14;/h3-6,11,13,16-17H,7-10H2,1-2H3;1H.
What are the key properties of 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 324.25 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2843901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).