2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol

C15H24ClNO2 — CID 2250138

IUPAC2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol
SMILESCc1cc(OCCCCCNCCO)cc(C)c1Cl
InChIInChI=1S/C15H24ClNO2/c1-12-10-14(11-13(2)15(12)16)19-9-5-3-4-6-17-7-8-18/h10-11,17-18H,3-9H2,1-2H3
InChIKeyCPCLOFLASZPHDE-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.09
Rot. Bonds9

About 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol

2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol (PubChem CID 2250138) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol.

Molecular Properties

Compound Name2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol
PubChem CID2250138
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol
SMILESCc1cc(OCCCCCNCCO)cc(C)c1Cl
InChIInChI=1S/C15H24ClNO2/c1-12-10-14(11-13(2)15(12)16)19-9-5-3-4-6-17-7-8-18/h10-11,17-18H,3-9H2,1-2H3
InChIKeyCPCLOFLASZPHDE-UHFFFAOYSA-N
XLogP3.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.09
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

4-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62584314
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62582646
N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine
CID 63497724
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62584689
4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107726759
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
4-(4-chloro-3,5-dimethylphenoxy)butan-2-one
CID 39246924
5-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107726323

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol?
The IUPAC name of 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol (CID 2250138) is 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol.
What is the SMILES notation for 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol?
The canonical SMILES for 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol is Cc1cc(OCCCCCNCCO)cc(C)c1Cl.
What is the InChIKey of 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol?
The InChIKey is CPCLOFLASZPHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-12-10-14(11-13(2)15(12)16)19-9-5-3-4-6-17-7-8-18/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol?
2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol has a molecular weight of 285.81 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-3,5-dimethylphenoxy)pentylamino]ethanol is sourced from PubChem (CID 2250138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).