1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride

C19H23Cl2NO2 — CID 2770380

IUPAC1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H22ClNO2.ClH/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21;/h1-8,19,22H,9-14H2;1H
InChIKeyVJCVXADVMLXGRI-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.70
Rot. Bonds6

About 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride

1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride (PubChem CID 2770380) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride
PubChem CID2770380
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H22ClNO2.ClH/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21;/h1-8,19,22H,9-14H2;1H
InChIKeyVJCVXADVMLXGRI-UHFFFAOYSA-N
XLogP3.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride (CID 2770380) is 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride is Cl.OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride?
The InChIKey is VJCVXADVMLXGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2.ClH/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21;/h1-8,19,22H,9-14H2;1H.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride?
1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride has a molecular weight of 368.30 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 2770380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).