(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol

C24H24Cl3NO3 — CID 51994921

IUPAC(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
SMILESCCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C24H24Cl3NO3/c1-2-30-23-12-16(13-28-14-22(29)17-7-4-3-5-8-17)11-21(27)24(23)31-15-18-19(25)9-6-10-20(18)26/h3-12,22,28-29H,2,13-15H2,1H3/t22-/m0/s1
InChIKeyPMAKNADRBAWJMR-QFIPXVFZSA-N
MW480.82 g/mol
LogP6.45
Rot. Bonds10

About (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol

(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol (PubChem CID 51994921) has the molecular formula C24H24Cl3NO3 and a molecular weight of 480.82 g/mol. Its IUPAC name is (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
PubChem CID51994921
Molecular FormulaC24H24Cl3NO3
Molecular Weight480.82 g/mol
Exact Mass479.08
IUPAC Name(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
SMILESCCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C24H24Cl3NO3/c1-2-30-23-12-16(13-28-14-22(29)17-7-4-3-5-8-17)11-21(27)24(23)31-15-18-19(25)9-6-10-20(18)26/h3-12,22,28-29H,2,13-15H2,1H3/t22-/m0/s1
InChIKeyPMAKNADRBAWJMR-QFIPXVFZSA-N
XLogP6.45
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol with MolForge

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Related Compounds

(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 7311622
(1S)-2-[(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]-1-phenylethanol
CID 51987234
2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid
CID 66528811
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720604
(2R)-1-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
CID 51997136
(1S)-2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylethanol
CID 8637889
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955
2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721232
(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997160
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

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol (CID 51994921) is (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol is CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol?
The InChIKey is PMAKNADRBAWJMR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24Cl3NO3/c1-2-30-23-12-16(13-28-14-22(29)17-7-4-3-5-8-17)11-21(27)24(23)31-15-18-19(25)9-6-10-20(18)26/h3-12,22,28-29H,2,13-15H2,1H3/t22-/m0/s1.
What are the key properties of (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol?
(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol has a molecular weight of 480.82 g/mol, XLogP of 6.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 51994921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).