(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol

C19H24ClNO3 — CID 70004370

IUPAC(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
SMILESCOc1ccc(CC(C)NC[C@H](O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H24ClNO3/c1-13(9-14-7-8-18(23-2)19(10-14)24-3)21-12-17(22)15-5-4-6-16(20)11-15/h4-8,10-11,13,17,21-22H,9,12H2,1-3H3/t13?,17-/m0/s1
InChIKeyOFQFWPQFYLFCTO-RUINGEJQSA-N
MW349.86 g/mol
LogP3.61
Rot. Bonds8

About (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol

(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol (PubChem CID 70004370) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
PubChem CID70004370
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
SMILESCOc1ccc(CC(C)NC[C@H](O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H24ClNO3/c1-13(9-14-7-8-18(23-2)19(10-14)24-3)21-12-17(22)15-5-4-6-16(20)11-15/h4-8,10-11,13,17,21-22H,9,12H2,1-3H3/t13?,17-/m0/s1
InChIKeyOFQFWPQFYLFCTO-RUINGEJQSA-N
XLogP3.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol;hydrobromide
CID 44522760
1-(3-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]ethanol
CID 18996354
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
CID 70005638
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
(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)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70002975
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
(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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol (CID 70004370) is (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol is COc1ccc(CC(C)NC[C@H](O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol?
The InChIKey is OFQFWPQFYLFCTO-RUINGEJQSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-13(9-14-7-8-18(23-2)19(10-14)24-3)21-12-17(22)15-5-4-6-16(20)11-15/h4-8,10-11,13,17,21-22H,9,12H2,1-3H3/t13?,17-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol has a molecular weight of 349.86 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol is sourced from PubChem (CID 70004370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).