2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol

C12H18ClNO2 — CID 106862592

IUPAC2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
SMILESCc1ccc(CNCCOCCO)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-10-2-3-11(12(13)8-10)9-14-4-6-16-7-5-15/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyVLXBQBUSCRMQGS-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.75
Rot. Bonds7

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

2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol (PubChem CID 106862592) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
PubChem CID106862592
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
SMILESCc1ccc(CNCCOCCO)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-10-2-3-11(12(13)8-10)9-14-4-6-16-7-5-15/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyVLXBQBUSCRMQGS-UHFFFAOYSA-N
XLogP1.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.75
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-[3-[(2-chloro-4-methylphenyl)methylamino]propoxy]ethanol
CID 106309804
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66532424
2-[3-[(2-bromo-4-methylphenyl)methylamino]propoxy]ethanol
CID 103992462
2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
CID 81496345
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
N-[(2-chloro-4-methylphenyl)methyl]-2-cyclopentyloxyethanamine
CID 106862669
2-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155291
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
2-[2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 66532270
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol (CID 106862592) is 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol is Cc1ccc(CNCCOCCO)c(Cl)c1.
What is the InChIKey of 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol?
The InChIKey is VLXBQBUSCRMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-10-2-3-11(12(13)8-10)9-14-4-6-16-7-5-15/h2-3,8,14-15H,4-7,9H2,1H3.
What are the key properties of 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol?
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol has a molecular weight of 243.73 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 106862592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).