1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol

C29H36ClNO6 — CID 173340110

IUPAC1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(CCCN(Cc2cc(OC)c(OC)c(OC)c2)CC(O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C29H36ClNO6/c1-33-25-12-11-20(14-26(25)34-2)8-7-13-31(19-24(32)22-9-6-10-23(30)17-22)18-21-15-27(35-3)29(37-5)28(16-21)36-4/h6,9-12,14-17,24,32H,7-8,13,18-19H2,1-5H3
InChIKeyHCXJYJGLBKQATH-UHFFFAOYSA-N
MW530.06 g/mol
LogP5.55
Rot. Bonds14

About 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol

1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol (PubChem CID 173340110) has the molecular formula C29H36ClNO6 and a molecular weight of 530.06 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol
PubChem CID173340110
Molecular FormulaC29H36ClNO6
Molecular Weight530.06 g/mol
Exact Mass529.22
IUPAC Name1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccc(CCCN(Cc2cc(OC)c(OC)c(OC)c2)CC(O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C29H36ClNO6/c1-33-25-12-11-20(14-26(25)34-2)8-7-13-31(19-24(32)22-9-6-10-23(30)17-22)18-21-15-27(35-3)29(37-5)28(16-21)36-4/h6,9-12,14-17,24,32H,7-8,13,18-19H2,1-5H3
InChIKeyHCXJYJGLBKQATH-UHFFFAOYSA-N
XLogP5.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.06
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(4-chlorophenyl)ethanol
CID 21450201
1-(3-chlorophenyl)-2-[4-(3,4-dimethoxyphenyl)butan-2-ylamino]ethanol
CID 18996354
1-(3-chlorophenyl)-2-[(3,4-dichlorophenyl)methyl-[(1R)-1-(3,4-dimethoxyphenyl)propyl]amino]ethanol
CID 173340486
4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]methyl]-2-methoxyphenol
CID 111825465
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
(1R)-2-[benzyl-[2-(4-bromophenyl)ethyl]amino]-1-(3-chlorophenyl)ethanol
CID 24822638
5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
CID 57389908
N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 75871905
methyl 4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-2-methoxyphenyl]benzoate
CID 24822315
(2S)-1-(4-chlorophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]propan-2-ol
CID 93161034
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
3-[3-[benzyl-[2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]amino]propyl]benzamide
CID 10393807

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol (CID 173340110) is 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol is COc1ccc(CCCN(Cc2cc(OC)c(OC)c(OC)c2)CC(O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol?
The InChIKey is HCXJYJGLBKQATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClNO6/c1-33-25-12-11-20(14-26(25)34-2)8-7-13-31(19-24(32)22-9-6-10-23(30)17-22)18-21-15-27(35-3)29(37-5)28(16-21)36-4/h6,9-12,14-17,24,32H,7-8,13,18-19H2,1-5H3.
What are the key properties of 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol?
1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol has a molecular weight of 530.06 g/mol, XLogP of 5.55, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 173340110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).