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

C14H22ClNO2 — CID 2250588

IUPAC2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol
SMILESCc1cc(OCCCCCNCCO)ccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-12-11-13(5-6-14(12)15)18-10-4-2-3-7-16-8-9-17/h5-6,11,16-17H,2-4,7-10H2,1H3
InChIKeyMUFDJLKLQJZGOM-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.78
Rot. Bonds9

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

2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol (PubChem CID 2250588) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol.

Molecular Properties

Compound Name2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol
PubChem CID2250588
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol
SMILESCc1cc(OCCCCCNCCO)ccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-12-11-13(5-6-14(12)15)18-10-4-2-3-7-16-8-9-17/h5-6,11,16-17H,2-4,7-10H2,1H3
InChIKeyMUFDJLKLQJZGOM-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.78
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-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
4-[2-(4-Chloro-3-methylphenoxy)ethyl]morpholine
CID 869329
1-[3-(4-Chloro-3-methylphenoxy)propyl]pyrrolidine
CID 2262864
1-Amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 3387132
[2-(4-Chloro-phenoxy)-ethyl]-(3-p-tolyloxy-propyl)-amine
CID 10758004
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 2183921
2-[5-(3,5-Dimethylphenoxy)pentylamino]ethanol
CID 2249966
Cambridge id 5735273
CID 2262399
2-[{2-[2-(4-Chloro-3,5-dimethylphenoxy)ethoxy]ethyl}(methyl)amino]ethanol
CID 2280418
{2-[2-(4-Chloro-3-methylphenoxy)ethoxy]ethyl}(2-methoxyethyl)amine oxalate
CID 2869738
2-({3-[(4-Chlorobenzyl)oxy]benzyl}amino)ethanol hydrochloride
CID 2951095
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 1733715

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol?
The IUPAC name of 2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol (CID 2250588) is 2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol.
What is the SMILES notation for 2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol?
The canonical SMILES for 2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol is Cc1cc(OCCCCCNCCO)ccc1Cl.
What is the InChIKey of 2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol?
The InChIKey is MUFDJLKLQJZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-12-11-13(5-6-14(12)15)18-10-4-2-3-7-16-8-9-17/h5-6,11,16-17H,2-4,7-10H2,1H3.
What are the key properties of 2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol?
2-[5-(4-chloro-3-methylphenoxy)pentylamino]ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.78, 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-methylphenoxy)pentylamino]ethanol is sourced from PubChem (CID 2250588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).