2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol

C11H16ClNO2 — CID 96660011

IUPAC2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol
SMILESCOc1cc(C)c(Cl)cc1CNCCO
InChIInChI=1S/C11H16ClNO2/c1-8-5-11(15-2)9(6-10(8)12)7-13-3-4-14/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyXHQCHOZPIWTMSV-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.74
Rot. Bonds5

About 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol

2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol (PubChem CID 96660011) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol
PubChem CID96660011
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol
SMILESCOc1cc(C)c(Cl)cc1CNCCO
InChIInChI=1S/C11H16ClNO2/c1-8-5-11(15-2)9(6-10(8)12)7-13-3-4-14/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyXHQCHOZPIWTMSV-UHFFFAOYSA-N
XLogP1.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.74
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

2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanethiol
CID 115223946
4-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]butan-2-one
CID 115235659
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(chloromethyl)methanamine
CID 115263017
[(5-chloro-2-methoxy-4-methylphenyl)methylamino]methanethiol
CID 115227920
3-[2-(5-chloro-2-methoxy-4-methylphenyl)ethylamino]propan-1-ol
CID 115217036
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257865
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139022
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
[2-(5-chloro-2-methoxy-4-methylphenyl)ethylamino]methanethiol
CID 115228245
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol (CID 96660011) is 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol is COc1cc(C)c(Cl)cc1CNCCO.
What is the InChIKey of 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol?
The InChIKey is XHQCHOZPIWTMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8-5-11(15-2)9(6-10(8)12)7-13-3-4-14/h5-6,13-14H,3-4,7H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol?
2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol is sourced from PubChem (CID 96660011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).