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

C18H23Cl2NO2 — CID 2882809

IUPAC1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)COCc1ccc(Cl)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H22ClNO2.ClH/c1-14(16-5-3-2-4-6-16)20-11-18(21)13-22-12-15-7-9-17(19)10-8-15;/h2-10,14,18,20-21H,11-13H2,1H3;1H
InChIKeyWGFMZDCXSVXZGE-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.99
Rot. Bonds8

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

1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride (PubChem CID 2882809) has the molecular formula C18H23Cl2NO2 and a molecular weight of 356.29 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride
PubChem CID2882809
Molecular FormulaC18H23Cl2NO2
Molecular Weight356.29 g/mol
Exact Mass355.11
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)COCc1ccc(Cl)cc1)c1ccccc1.Cl
InChIInChI=1S/C18H22ClNO2.ClH/c1-14(16-5-3-2-4-6-16)20-11-18(21)13-22-12-15-7-9-17(19)10-8-15;/h2-10,14,18,20-21H,11-13H2,1H3;1H
InChIKeyWGFMZDCXSVXZGE-UHFFFAOYSA-N
XLogP3.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-Chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 4799605
1-(Benzylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride
CID 16196687
1-(Sec-butylamino)-3-((4-chlorobenzyl)oxy)propan-2-ol hydrochloride
CID 2770365
1-((4-chlorobenzyl)oxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol hydrochloride
CID 2770380
1-(Tert-butylamino)-3-[(4-chlorobenzyl)oxy]-2-propanol hydrochloride
CID 2882305
2-[(2-Chlorobenzyl)amino]-1-phenyl-1-propanol hydrochloride
CID 2975216
1-[Bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol
CID 4214017
2-[(3,4-Dichlorobenzyl)amino]-1-phenyl-1-propanol
CID 11948814
1-[(4-Chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol;hydrochloride
CID 16195985
2-(Butylamino)-1,2-bis(4-chlorophenyl)ethanol;hydrochloride
CID 24184002
1-[(4-Chlorophenyl)methoxy]-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 4248095
1-[(4-Chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 4801923

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride (CID 2882809) is 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride is CC(NCC(O)COCc1ccc(Cl)cc1)c1ccccc1.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The InChIKey is WGFMZDCXSVXZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2.ClH/c1-14(16-5-3-2-4-6-16)20-11-18(21)13-22-12-15-7-9-17(19)10-8-15;/h2-10,14,18,20-21H,11-13H2,1H3;1H.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
1-[(4-chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride has a molecular weight of 356.29 g/mol, XLogP of 3.99, 8 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-(1-phenylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2882809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).