1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol

C24H27NO4 — CID 119128834

IUPAC1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2ccc(OC)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H27NO4/c1-27-21-10-6-9-20(14-21)22(26)16-25-15-19-11-12-23(28-2)24(13-19)29-17-18-7-4-3-5-8-18/h3-14,22,25-26H,15-17H2,1-2H3
InChIKeyFUNBVJGUUXWODX-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.11
Rot. Bonds10

About 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol

1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 119128834) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID119128834
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
SMILESCOc1cccc(C(O)CNCc2ccc(OC)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C24H27NO4/c1-27-21-10-6-9-20(14-21)22(26)16-25-15-19-11-12-23(28-2)24(13-19)29-17-18-7-4-3-5-8-18/h3-14,22,25-26H,15-17H2,1-2H3
InChIKeyFUNBVJGUUXWODX-UHFFFAOYSA-N
XLogP4.11
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
3-[2-[(3,4-dimethoxyphenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
CID 138402625
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
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-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol (CID 119128834) is 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol is COc1cccc(C(O)CNCc2ccc(OC)c(OCc3ccccc3)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is FUNBVJGUUXWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-27-21-10-6-9-20(14-21)22(26)16-25-15-19-11-12-23(28-2)24(13-19)29-17-18-7-4-3-5-8-18/h3-14,22,25-26H,15-17H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol?
1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 393.48 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 119128834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).