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

C18H22ClNO2 — CID 18628071

IUPAC1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
SMILESCOc1cccc(CC(C)NCC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClNO2/c1-13(9-14-5-3-8-17(10-14)22-2)20-12-18(21)15-6-4-7-16(19)11-15/h3-8,10-11,13,18,20-21H,9,12H2,1-2H3
InChIKeyUMNPWMQFFGIHHW-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.60
Rot. Bonds7

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

1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol (PubChem CID 18628071) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
PubChem CID18628071
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
SMILESCOc1cccc(CC(C)NCC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClNO2/c1-13(9-14-5-3-8-17(10-14)22-2)20-12-18(21)15-6-4-7-16(19)11-15/h3-8,10-11,13,18,20-21H,9,12H2,1-2H3
InChIKeyUMNPWMQFFGIHHW-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-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
(1R)-1-(3-chlorophenyl)-2-[[(2S)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol
CID 44522746
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol;hydrobromide
CID 44522760
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686
3-(3-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 109478503
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[3-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]propoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
CID 44522840
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrobromide
CID 6918146
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol (CID 18628071) is 1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol is COc1cccc(CC(C)NCC(O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol?
The InChIKey is UMNPWMQFFGIHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-13(9-14-5-3-8-17(10-14)22-2)20-12-18(21)15-6-4-7-16(19)11-15/h3-8,10-11,13,18,20-21H,9,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-(3-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-(3-methoxyphenyl)propan-2-ylamino]ethanol is sourced from PubChem (CID 18628071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).