4-(2-morpholin-4-ylethoxy)aniline;hydrochloride

C12H19ClN2O2 — CID 89422137

IUPAC4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
SMILESCl.Nc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C12H18N2O2.ClH/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14;/h1-4H,5-10,13H2;1H
InChIKeyTZBNSMVXQFDPQA-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.40
Rot. Bonds4

About 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride

4-(2-morpholin-4-ylethoxy)aniline;hydrochloride (PubChem CID 89422137) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
PubChem CID89422137
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
SMILESCl.Nc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C12H18N2O2.ClH/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14;/h1-4H,5-10,13H2;1H
InChIKeyTZBNSMVXQFDPQA-UHFFFAOYSA-N
XLogP1.40
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
CID 154418402
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
deuterio-iodo-tritiomethane;4-[2-(4-isothiocyanatophenoxy)ethyl]morpholine;4-(2-morpholin-4-ylethoxy)aniline
CID 161088263
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
1-fluoro-2-[4-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 87332393
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
CID 68685508
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride?
The IUPAC name of 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride (CID 89422137) is 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride.
What is the SMILES notation for 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride?
The canonical SMILES for 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride is Cl.Nc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride?
The InChIKey is TZBNSMVXQFDPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14;/h1-4H,5-10,13H2;1H.
What are the key properties of 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride?
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethoxy)aniline;hydrochloride is sourced from PubChem (CID 89422137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).