2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol

C10H15ClN2O2 — CID 115468899

IUPAC2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
SMILESNc1ccc(Cl)cc1NCCOCCO
InChIInChI=1S/C10H15ClN2O2/c11-8-1-2-9(12)10(7-8)13-3-5-15-6-4-14/h1-2,7,13-14H,3-6,12H2
InChIKeyFRMMECDCBCJONQ-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.34
Rot. Bonds6

About 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol

2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol (PubChem CID 115468899) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
PubChem CID115468899
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
SMILESNc1ccc(Cl)cc1NCCOCCO
InChIInChI=1S/C10H15ClN2O2/c11-8-1-2-9(12)10(7-8)13-3-5-15-6-4-14/h1-2,7,13-14H,3-6,12H2
InChIKeyFRMMECDCBCJONQ-UHFFFAOYSA-N
XLogP1.34
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol
CID 66100509
4-chloro-1-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,2-diamine
CID 114465194
2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
CID 62815209
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 62498772
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497
4-chloro-2-N-[3-(diethylamino)propyl]benzene-1,2-diamine
CID 113315575
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
5-chloro-2-[3-(2-hydroxyethoxy)propylamino]benzoic acid
CID 114171141
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol (CID 115468899) is 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol is Nc1ccc(Cl)cc1NCCOCCO.
What is the InChIKey of 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol?
The InChIKey is FRMMECDCBCJONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-8-1-2-9(12)10(7-8)13-3-5-15-6-4-14/h1-2,7,13-14H,3-6,12H2.
What are the key properties of 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol?
2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol has a molecular weight of 230.69 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol is sourced from PubChem (CID 115468899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).