2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol

C20H27ClN2O3 — CID 66537637

IUPAC2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
SMILESCCOc1cc(CNCCNCCO)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C20H27ClN2O3/c1-2-25-19-12-17(14-23-9-8-22-10-11-24)18(21)13-20(19)26-15-16-6-4-3-5-7-16/h3-7,12-13,22-24H,2,8-11,14-15H2,1H3
InChIKeyMDXGBQMUFRUIGQ-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.99
Rot. Bonds12

About 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol

2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol (PubChem CID 66537637) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
PubChem CID66537637
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
SMILESCCOc1cc(CNCCNCCO)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C20H27ClN2O3/c1-2-25-19-12-17(14-23-9-8-22-10-11-24)18(21)13-20(19)26-15-16-6-4-3-5-7-16/h3-7,12-13,22-24H,2,8-11,14-15H2,1H3
InChIKeyMDXGBQMUFRUIGQ-UHFFFAOYSA-N
XLogP2.99
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.99
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-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66537265
2-[2-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 66537571
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 66530681
2-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethanol
CID 66532238
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66530812
2-[3-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propylamino]ethanol
CID 66537534
2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537211
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66530676
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66531450
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 66530752

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol (CID 66537637) is 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol is CCOc1cc(CNCCNCCO)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
The InChIKey is MDXGBQMUFRUIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-2-25-19-12-17(14-23-9-8-22-10-11-24)18(21)13-20(19)26-15-16-6-4-3-5-7-16/h3-7,12-13,22-24H,2,8-11,14-15H2,1H3.
What are the key properties of 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol?
2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol has a molecular weight of 378.90 g/mol, XLogP of 2.99, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol is sourced from PubChem (CID 66537637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).