2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol

C31H40N2O6 — CID 121460134

IUPAC2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol
SMILESCOc1cc(OCc2cccc(-c3cccc(OCCN4CCOCC4)c3)c2C)cc(OC)c1CNCCO
InChIInChI=1S/C31H40N2O6/c1-23-25(22-39-27-19-30(35-2)29(21-32-10-14-34)31(20-27)36-3)7-5-9-28(23)24-6-4-8-26(18-24)38-17-13-33-11-15-37-16-12-33/h4-9,18-20,32,34H,10-17,21-22H2,1-3H3
InChIKeyBEQATRHVWPPUPJ-UHFFFAOYSA-N
MW536.67 g/mol
LogP4.05
Rot. Bonds14

About 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol

2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol (PubChem CID 121460134) has the molecular formula C31H40N2O6 and a molecular weight of 536.67 g/mol. Its IUPAC name is 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol
PubChem CID121460134
Molecular FormulaC31H40N2O6
Molecular Weight536.67 g/mol
Exact Mass536.29
IUPAC Name2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol
SMILESCOc1cc(OCc2cccc(-c3cccc(OCCN4CCOCC4)c3)c2C)cc(OC)c1CNCCO
InChIInChI=1S/C31H40N2O6/c1-23-25(22-39-27-19-30(35-2)29(21-32-10-14-34)31(20-27)36-3)7-5-9-28(23)24-6-4-8-26(18-24)38-17-13-33-11-15-37-16-12-33/h4-9,18-20,32,34H,10-17,21-22H2,1-3H3
InChIKeyBEQATRHVWPPUPJ-UHFFFAOYSA-N
XLogP4.05
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.67
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol with MolForge

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Related Compounds

2-[[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenoxy]methyl]-6-[3-[[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenoxy]methyl]phenyl]benzonitrile
CID 134230989
7-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyheptanamide
CID 163322236
(2R)-3-hydroxy-2-[[4-[[2-methyl-3-[3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methoxy]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methylamino]propanoic acid
CID 164619076
trans-(1S,2S)-2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]cyclopentan-1-ol
CID 121452770
2-[[3-[2-methyl-3-[3-(3-morpholin-4-ylpropoxy)phenyl]anilino]thieno[3,2-b]pyridin-6-yl]methylamino]ethanol
CID 146339376
N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 130316749
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
[6-methoxy-2-[2-methyl-3-[3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 146311874
2-[2-[[3,5-dimethoxy-4-[(2-pyrrolidin-1-ylethylamino)methyl]phenoxy]methyl]phenyl]benzonitrile
CID 174802348
4-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydroindole-1-carbaldehyde
CID 175896939
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[[[4-[[3-[3-[[3,5-dimethoxy-4-[[(4-oxoazetidin-2-yl)methylamino]methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2,6-dimethoxyphenyl]methylamino]methyl]azetidin-2-one
CID 134240621

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol (CID 121460134) is 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol is COc1cc(OCc2cccc(-c3cccc(OCCN4CCOCC4)c3)c2C)cc(OC)c1CNCCO.
What is the InChIKey of 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol?
The InChIKey is BEQATRHVWPPUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O6/c1-23-25(22-39-27-19-30(35-2)29(21-32-10-14-34)31(20-27)36-3)7-5-9-28(23)24-6-4-8-26(18-24)38-17-13-33-11-15-37-16-12-33/h4-9,18-20,32,34H,10-17,21-22H2,1-3H3.
What are the key properties of 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol?
2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol has a molecular weight of 536.67 g/mol, XLogP of 4.05, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dimethoxy-4-[[2-methyl-3-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]methoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 121460134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).