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

C18H22ClNO2 — CID 18628145

IUPAC2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO2/c1-13(11-14-7-3-5-9-16(14)19)20-12-17(21)15-8-4-6-10-18(15)22-2/h3-10,13,17,20-21H,11-12H2,1-2H3
InChIKeyDDFICJGLUASHCE-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.60
Rot. Bonds7

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

2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol (PubChem CID 18628145) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
PubChem CID18628145
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C18H22ClNO2/c1-13(11-14-7-3-5-9-16(14)19)20-12-17(21)15-8-4-6-10-18(15)22-2/h3-10,13,17,20-21H,11-12H2,1-2H3
InChIKeyDDFICJGLUASHCE-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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Related Compounds

(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145
1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 110898147
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
2-[2-(hydroxymethyl)phenyl]-1-(2-methoxyphenyl)ethanol
CID 102015925
2-[1-hydroxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-ylamino]ethyl]phenol
CID 67934224
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol (CID 18628145) is 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(O)CNC(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol?
The InChIKey is DDFICJGLUASHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-13(11-14-7-3-5-9-16(14)19)20-12-17(21)15-8-4-6-10-18(15)22-2/h3-10,13,17,20-21H,11-12H2,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol?
2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)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 2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 18628145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).