2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol

C10H14ClNO2 — CID 96658307

IUPAC2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(CNCCO)c(Cl)c1
InChIInChI=1S/C10H14ClNO2/c1-14-9-3-2-8(10(11)6-9)7-12-4-5-13/h2-3,6,12-13H,4-5,7H2,1H3
InChIKeyDBABDFGQXNKFNF-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.43
Rot. Bonds5

About 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol

2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol (PubChem CID 96658307) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
PubChem CID96658307
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(CNCCO)c(Cl)c1
InChIInChI=1S/C10H14ClNO2/c1-14-9-3-2-8(10(11)6-9)7-12-4-5-13/h2-3,6,12-13H,4-5,7H2,1H3
InChIKeyDBABDFGQXNKFNF-UHFFFAOYSA-N
XLogP1.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol
CID 115216842
3-[(2-chloro-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224893
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257878
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366
2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
CID 75355507

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol (CID 96658307) is 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol is COc1ccc(CNCCO)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol?
The InChIKey is DBABDFGQXNKFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-14-9-3-2-8(10(11)6-9)7-12-4-5-13/h2-3,6,12-13H,4-5,7H2,1H3.
What are the key properties of 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol?
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol has a molecular weight of 215.68 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 96658307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).