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

C20H27NO3 — CID 70002975

IUPAC(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
SMILESCOc1ccc(CC(C)NC[C@H](O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H27NO3/c1-14-5-8-17(9-6-14)18(22)13-21-15(2)11-16-7-10-19(23-3)20(12-16)24-4/h5-10,12,15,18,21-22H,11,13H2,1-4H3/t15?,18-/m0/s1
InChIKeyOHWFAUQEJUFWRW-PKHIMPSTSA-N
MW329.44 g/mol
LogP3.27
Rot. Bonds8

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

(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol (PubChem CID 70002975) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
PubChem CID70002975
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
SMILESCOc1ccc(CC(C)NC[C@H](O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H27NO3/c1-14-5-8-17(9-6-14)18(22)13-21-15(2)11-16-7-10-19(23-3)20(12-16)24-4/h5-10,12,15,18,21-22H,11,13H2,1-4H3/t15?,18-/m0/s1
InChIKeyOHWFAUQEJUFWRW-PKHIMPSTSA-N
XLogP3.27
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
CID 70005638
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145
2-[1-(3,4-dimethoxyphenyl)butan-2-ylamino]-1-phenylethanol
CID 18628046
3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185677
2-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 3070941
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 115896106
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
(1R)-2-[[(2R)-1-(3,4-dimethoxyphenyl)pentan-2-yl]amino]-1-phenylethanol
CID 54523687
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
CID 11489067
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
CID 43200513

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol?
The IUPAC name of (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol (CID 70002975) is (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol is COc1ccc(CC(C)NC[C@H](O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol?
The InChIKey is OHWFAUQEJUFWRW-PKHIMPSTSA-N. The full InChI is InChI=1S/C20H27NO3/c1-14-5-8-17(9-6-14)18(22)13-21-15(2)11-16-7-10-19(23-3)20(12-16)24-4/h5-10,12,15,18,21-22H,11,13H2,1-4H3/t15?,18-/m0/s1.
What are the key properties of (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol?
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol has a molecular weight of 329.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 70002975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).