2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride

C16H21Cl2NO3 — CID 17156649

IUPAC2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride
SMILESCc1ccc(-c2ccc(CNCCOCCO)o2)cc1Cl.Cl
InChIInChI=1S/C16H20ClNO3.ClH/c1-12-2-3-13(10-15(12)17)16-5-4-14(21-16)11-18-6-8-20-9-7-19;/h2-5,10,18-19H,6-9,11H2,1H3;1H
InChIKeyRJSZITYDFVPGMD-UHFFFAOYSA-N
MW346.25 g/mol
LogP3.43
Rot. Bonds8

About 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride

2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride (PubChem CID 17156649) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride
PubChem CID17156649
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC Name2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride
SMILESCc1ccc(-c2ccc(CNCCOCCO)o2)cc1Cl.Cl
InChIInChI=1S/C16H20ClNO3.ClH/c1-12-2-3-13(10-15(12)17)16-5-4-14(21-16)11-18-6-8-20-9-7-19;/h2-5,10,18-19H,6-9,11H2,1H3;1H
InChIKeyRJSZITYDFVPGMD-UHFFFAOYSA-N
XLogP3.43
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 53.43
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

2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
CID 17156363
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17057150
2-chloro-5-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 132897703
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
2-chloro-5-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoic acid
CID 51051706
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 17057138
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride?
The IUPAC name of 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride (CID 17156649) is 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride is Cc1ccc(-c2ccc(CNCCOCCO)o2)cc1Cl.Cl.
What is the InChIKey of 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride?
The InChIKey is RJSZITYDFVPGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3.ClH/c1-12-2-3-13(10-15(12)17)16-5-4-14(21-16)11-18-6-8-20-9-7-19;/h2-5,10,18-19H,6-9,11H2,1H3;1H.
What are the key properties of 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride?
2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride has a molecular weight of 346.25 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 17156649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).