(1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol

C20H24ClNO2 — CID 44523430

IUPAC(1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol
SMILESCOc1ccc2c(c1)CC(CNC[C@H](O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C20H24ClNO2/c1-24-19-8-7-15-6-5-14(9-17(15)11-19)12-22-13-20(23)16-3-2-4-18(21)10-16/h2-4,7-8,10-11,14,20,22-23H,5-6,9,12-13H2,1H3/t14?,20-/m0/s1
InChIKeyPYINOBOAVYEMER-LGTGAQBVSA-N
MW345.87 g/mol
LogP3.78
Rot. Bonds6

About (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol

(1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol (PubChem CID 44523430) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol
PubChem CID44523430
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol
SMILESCOc1ccc2c(c1)CC(CNC[C@H](O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C20H24ClNO2/c1-24-19-8-7-15-6-5-14(9-17(15)11-19)12-22-13-20(23)16-3-2-4-18(21)10-16/h2-4,7-8,10-11,14,20,22-23H,5-6,9,12-13H2,1H3/t14?,20-/m0/s1
InChIKeyPYINOBOAVYEMER-LGTGAQBVSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol (CID 44523430) is (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol is COc1ccc2c(c1)CC(CNC[C@H](O)c1cccc(Cl)c1)CC2.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol?
The InChIKey is PYINOBOAVYEMER-LGTGAQBVSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-24-19-8-7-15-6-5-14(9-17(15)11-19)12-22-13-20(23)16-3-2-4-18(21)10-16/h2-4,7-8,10-11,14,20,22-23H,5-6,9,12-13H2,1H3/t14?,20-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol has a molecular weight of 345.87 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]ethanol is sourced from PubChem (CID 44523430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).