2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride

C19H25Cl2NO4 — CID 17155273

IUPAC2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
SMILESCOc1cc(CNCCOCCO)cc(Cl)c1OCc1ccccc1.Cl
InChIInChI=1S/C19H24ClNO4.ClH/c1-23-18-12-16(13-21-7-9-24-10-8-22)11-17(20)19(18)25-14-15-5-3-2-4-6-15;/h2-6,11-12,21-22H,7-10,13-14H2,1H3;1H
InChIKeyIFJPYTLRSSJHAU-UHFFFAOYSA-N
MW402.32 g/mol
LogP3.45
Rot. Bonds11

About 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride

2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride (PubChem CID 17155273) has the molecular formula C19H25Cl2NO4 and a molecular weight of 402.32 g/mol. Its IUPAC name is 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
PubChem CID17155273
Molecular FormulaC19H25Cl2NO4
Molecular Weight402.32 g/mol
Exact Mass401.12
IUPAC Name2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride
SMILESCOc1cc(CNCCOCCO)cc(Cl)c1OCc1ccccc1.Cl
InChIInChI=1S/C19H24ClNO4.ClH/c1-23-18-12-16(13-21-7-9-24-10-8-22)11-17(20)19(18)25-14-15-5-3-2-4-6-15;/h2-6,11-12,21-22H,7-10,13-14H2,1H3;1H
InChIKeyIFJPYTLRSSJHAU-UHFFFAOYSA-N
XLogP3.45
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 53.45
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

2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2958913
N'-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215535
2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 17155162
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2960435
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine
CID 4716931
2-[(3,5-dichloro-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17196015
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol
CID 2215596
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716264
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718670
2-[3-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214142
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-phenylethanamine
CID 29226114

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride?
The IUPAC name of 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride (CID 17155273) is 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride is COc1cc(CNCCOCCO)cc(Cl)c1OCc1ccccc1.Cl.
What is the InChIKey of 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride?
The InChIKey is IFJPYTLRSSJHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4.ClH/c1-23-18-12-16(13-21-7-9-24-10-8-22)11-17(20)19(18)25-14-15-5-3-2-4-6-15;/h2-6,11-12,21-22H,7-10,13-14H2,1H3;1H.
What are the key properties of 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride?
2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride has a molecular weight of 402.32 g/mol, XLogP of 3.45, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 17155273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).