1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol

C18H22ClNO2 — CID 18627981

IUPAC1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
SMILESCOc1ccccc1CC(C)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO2/c1-13(10-15-6-3-4-9-18(15)22-2)20-12-17(21)14-7-5-8-16(19)11-14/h3-9,11,13,17,20-21H,10,12H2,1-2H3
InChIKeyPEHTVZJXUHBQAK-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.60
Rot. Bonds7

About 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol (PubChem CID 18627981) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
PubChem CID18627981
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
SMILESCOc1ccccc1CC(C)NCC(O)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO2/c1-13(10-15-6-3-4-9-18(15)22-2)20-12-17(21)14-7-5-8-16(19)11-14/h3-9,11,13,17,20-21H,10,12H2,1-2H3
InChIKeyPEHTVZJXUHBQAK-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol (CID 18627981) is 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol is COc1ccccc1CC(C)NCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol?
The InChIKey is PEHTVZJXUHBQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-13(10-15-6-3-4-9-18(15)22-2)20-12-17(21)14-7-5-8-16(19)11-14/h3-9,11,13,17,20-21H,10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol has a molecular weight of 319.83 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol is sourced from PubChem (CID 18627981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).