1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C13H21Cl2NO2 — CID 2770375

IUPAC1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H20ClNO2.ClH/c1-10(2)15-7-13(16)9-17-8-11-3-5-12(14)6-4-11;/h3-6,10,13,15-16H,7-9H2,1-2H3;1H
InChIKeyWLFIBWUFOWZQEF-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.64
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 2770375) has the molecular formula C13H21Cl2NO2 and a molecular weight of 294.22 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID2770375
Molecular FormulaC13H21Cl2NO2
Molecular Weight294.22 g/mol
Exact Mass293.09
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H20ClNO2.ClH/c1-10(2)15-7-13(16)9-17-8-11-3-5-12(14)6-4-11;/h3-6,10,13,15-16H,7-9H2,1-2H3;1H
InChIKeyWLFIBWUFOWZQEF-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 2770375) is 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is WLFIBWUFOWZQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2.ClH/c1-10(2)15-7-13(16)9-17-8-11-3-5-12(14)6-4-11;/h3-6,10,13,15-16H,7-9H2,1-2H3;1H.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 294.22 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2770375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).