2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol

C19H25BrN2O3 — CID 66538313

IUPAC2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
SMILESCOc1cc(CNCCNCCO)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C19H25BrN2O3/c1-24-18-11-16(13-22-8-7-21-9-10-23)17(20)12-19(18)25-14-15-5-3-2-4-6-15/h2-6,11-12,21-23H,7-10,13-14H2,1H3
InChIKeyPDTXZIOPTVEQLO-UHFFFAOYSA-N
MW409.32 g/mol
LogP2.71
Rot. Bonds11

About 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol

2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol (PubChem CID 66538313) has the molecular formula C19H25BrN2O3 and a molecular weight of 409.32 g/mol. Its IUPAC name is 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
PubChem CID66538313
Molecular FormulaC19H25BrN2O3
Molecular Weight409.32 g/mol
Exact Mass408.10
IUPAC Name2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
SMILESCOc1cc(CNCCNCCO)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C19H25BrN2O3/c1-24-18-11-16(13-22-8-7-21-9-10-23)17(20)12-19(18)25-14-15-5-3-2-4-6-15/h2-6,11-12,21-23H,7-10,13-14H2,1H3
InChIKeyPDTXZIOPTVEQLO-UHFFFAOYSA-N
XLogP2.71
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethanol
CID 66532238
2-[2-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537265
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66532263
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 66535164
2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537637
5-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 66534890
2-[5-bromo-4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
CID 2991093
2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537211

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol (CID 66538313) is 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol is COc1cc(CNCCNCCO)c(Br)cc1OCc1ccccc1.
What is the InChIKey of 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The InChIKey is PDTXZIOPTVEQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O3/c1-24-18-11-16(13-22-8-7-21-9-10-23)17(20)12-19(18)25-14-15-5-3-2-4-6-15/h2-6,11-12,21-23H,7-10,13-14H2,1H3.
What are the key properties of 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol has a molecular weight of 409.32 g/mol, XLogP of 2.71, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol is sourced from PubChem (CID 66538313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).