1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol

C26H28Cl3NO3 — CID 173340486

IUPAC1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol
SMILESCC[C@H](c1ccc(OC)c(OC)c1)N(Cc1ccc(Cl)c(Cl)c1)CC(O)c1cccc(Cl)c1
InChIInChI=1S/C26H28Cl3NO3/c1-4-23(18-9-11-25(32-2)26(14-18)33-3)30(15-17-8-10-21(28)22(29)12-17)16-24(31)19-6-5-7-20(27)13-19/h5-14,23-24,31H,4,15-16H2,1-3H3/t23-,24?/m1/s1
InChIKeyDGHWBUSDSAXGCY-MIHMCVIASA-N
MW508.87 g/mol
LogP7.35
Rot. Bonds10

About 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol

1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol (PubChem CID 173340486) has the molecular formula C26H28Cl3NO3 and a molecular weight of 508.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol
PubChem CID173340486
Molecular FormulaC26H28Cl3NO3
Molecular Weight508.87 g/mol
Exact Mass507.11
IUPAC Name1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol
SMILESCC[C@H](c1ccc(OC)c(OC)c1)N(Cc1ccc(Cl)c(Cl)c1)CC(O)c1cccc(Cl)c1
InChIInChI=1S/C26H28Cl3NO3/c1-4-23(18-9-11-25(32-2)26(14-18)33-3)30(15-17-8-10-21(28)22(29)12-17)16-24(31)19-6-5-7-20(27)13-19/h5-14,23-24,31H,4,15-16H2,1-3H3/t23-,24?/m1/s1
InChIKeyDGHWBUSDSAXGCY-MIHMCVIASA-N
XLogP7.35
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.87
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol with MolForge

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Related Compounds

1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 173340110
4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
CID 111825465
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
4-[(1R)-2-[(3-chloro-4-methoxyphenyl)methyl-propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 59046182
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
4-[(2R)-2-[bis[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenol
CID 18645339
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63045810
1-(3-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]ethanol
CID 18996354
2-(3,4-dichlorophenyl)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]ethanol
CID 66788807

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol (CID 173340486) is 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol is CC[C@H](c1ccc(OC)c(OC)c1)N(Cc1ccc(Cl)c(Cl)c1)CC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol?
The InChIKey is DGHWBUSDSAXGCY-MIHMCVIASA-N. The full InChI is InChI=1S/C26H28Cl3NO3/c1-4-23(18-9-11-25(32-2)26(14-18)33-3)30(15-17-8-10-21(28)22(29)12-17)16-24(31)19-6-5-7-20(27)13-19/h5-14,23-24,31H,4,15-16H2,1-3H3/t23-,24?/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol?
1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol has a molecular weight of 508.87 g/mol, XLogP of 7.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol is sourced from PubChem (CID 173340486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).