(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol

C23H23Cl2NO3 — CID 27004665

IUPAC(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
SMILESCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H23Cl2NO3/c1-28-23-12-16(13-26-14-21(27)18-5-3-2-4-6-18)8-10-22(23)29-15-17-7-9-19(24)20(25)11-17/h2-12,21,26-27H,13-15H2,1H3/t21-/m0/s1
InChIKeyBWNNKPIZXIHJEG-NRFANRHFSA-N
MW432.35 g/mol
LogP5.40
Rot. Bonds9

About (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol

(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol (PubChem CID 27004665) has the molecular formula C23H23Cl2NO3 and a molecular weight of 432.35 g/mol. Its IUPAC name is (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
PubChem CID27004665
Molecular FormulaC23H23Cl2NO3
Molecular Weight432.35 g/mol
Exact Mass431.11
IUPAC Name(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
SMILESCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H23Cl2NO3/c1-28-23-12-16(13-26-14-21(27)18-5-3-2-4-6-18)8-10-22(23)29-15-17-7-9-19(24)20(25)11-17/h2-12,21,26-27H,13-15H2,1H3/t21-/m0/s1
InChIKeyBWNNKPIZXIHJEG-NRFANRHFSA-N
XLogP5.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
(1S)-2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993453
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720430
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol (CID 27004665) is (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol is COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol?
The InChIKey is BWNNKPIZXIHJEG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23Cl2NO3/c1-28-23-12-16(13-26-14-21(27)18-5-3-2-4-6-18)8-10-22(23)29-15-17-7-9-19(24)20(25)11-17/h2-12,21,26-27H,13-15H2,1H3/t21-/m0/s1.
What are the key properties of (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol?
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol has a molecular weight of 432.35 g/mol, XLogP of 5.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 27004665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).