2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol

C19H23BrClNO4 — CID 17155162

IUPAC2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
SMILESCOc1cc(CNCCOCCO)cc(Br)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H23BrClNO4/c1-24-18-11-15(12-22-6-8-25-9-7-23)10-17(20)19(18)26-13-14-2-4-16(21)5-3-14/h2-5,10-11,22-23H,6-9,12-13H2,1H3
InChIKeyIDRUXENQIZAVGP-UHFFFAOYSA-N
MW444.75 g/mol
LogP3.79
Rot. Bonds11

About 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol

2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol (PubChem CID 17155162) has the molecular formula C19H23BrClNO4 and a molecular weight of 444.75 g/mol. Its IUPAC name is 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
PubChem CID17155162
Molecular FormulaC19H23BrClNO4
Molecular Weight444.75 g/mol
Exact Mass443.05
IUPAC Name2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
SMILESCOc1cc(CNCCOCCO)cc(Br)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H23BrClNO4/c1-24-18-11-15(12-22-6-8-25-9-7-23)10-17(20)19(18)26-13-14-2-4-16(21)5-3-14/h2-5,10-11,22-23H,6-9,12-13H2,1H3
InChIKeyIDRUXENQIZAVGP-UHFFFAOYSA-N
XLogP3.79
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208406
2-[2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
CID 17155495
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294695
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 17054461
2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
CID 17155273
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208829
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292613
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210017
(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 27236202
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 3546377
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292612
2-[2-bromo-6-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 55218721

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol (CID 17155162) is 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol is COc1cc(CNCCOCCO)cc(Br)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol?
The InChIKey is IDRUXENQIZAVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrClNO4/c1-24-18-11-15(12-22-6-8-25-9-7-23)10-17(20)19(18)26-13-14-2-4-16(21)5-3-14/h2-5,10-11,22-23H,6-9,12-13H2,1H3.
What are the key properties of 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol?
2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol has a molecular weight of 444.75 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 17155162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).