2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol

C17H19BrClNO3 — CID 66536094

IUPAC2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol
SMILESCOc1ccc(Br)c(CNCCO)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClNO3/c1-22-16-7-6-15(18)14(10-20-8-9-21)17(16)23-11-12-2-4-13(19)5-3-12/h2-7,20-21H,8-11H2,1H3
InChIKeyVRYZTWYOKCPDSI-UHFFFAOYSA-N
MW400.70 g/mol
LogP3.77
Rot. Bonds8

About 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol

2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol (PubChem CID 66536094) has the molecular formula C17H19BrClNO3 and a molecular weight of 400.70 g/mol. Its IUPAC name is 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol
PubChem CID66536094
Molecular FormulaC17H19BrClNO3
Molecular Weight400.70 g/mol
Exact Mass399.02
IUPAC Name2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol
SMILESCOc1ccc(Br)c(CNCCO)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClNO3/c1-22-16-7-6-15(18)14(10-20-8-9-21)17(16)23-11-12-2-4-13(19)5-3-12/h2-7,20-21H,8-11H2,1H3
InChIKeyVRYZTWYOKCPDSI-UHFFFAOYSA-N
XLogP3.77
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.70
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 66535976
2-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylamino]ethanol
CID 66536345
3-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-1-ol
CID 66537016
4-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 66536858
5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
CID 66535944
2-[2-[(6-bromo-2-ethoxy-3-methoxyphenyl)methylamino]ethylamino]ethanol
CID 66538981
2-[(6-bromo-3-methoxy-2-propoxyphenyl)methylamino]ethanol
CID 66537178
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66536256
N-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methoxyaniline
CID 66543394
N-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 66536052
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535931
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-chloroaniline
CID 66543149

Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol?
The IUPAC name of 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol (CID 66536094) is 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol?
The canonical SMILES for 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol is COc1ccc(Br)c(CNCCO)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol?
The InChIKey is VRYZTWYOKCPDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO3/c1-22-16-7-6-15(18)14(10-20-8-9-21)17(16)23-11-12-2-4-13(19)5-3-12/h2-7,20-21H,8-11H2,1H3.
What are the key properties of 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol?
2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol has a molecular weight of 400.70 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol is sourced from PubChem (CID 66536094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).