2-(4-morpholin-4-ylbutan-2-yloxy)aniline

C14H22N2O2 — CID 82036952

IUPAC2-(4-morpholin-4-ylbutan-2-yloxy)aniline
SMILESCC(CCN1CCOCC1)Oc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-12(6-7-16-8-10-17-11-9-16)18-14-5-3-2-4-13(14)15/h2-5,12H,6-11,15H2,1H3
InChIKeyBQBUXRYLGHLCCD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.76
Rot. Bonds5

About 2-(4-morpholin-4-ylbutan-2-yloxy)aniline

2-(4-morpholin-4-ylbutan-2-yloxy)aniline (PubChem CID 82036952) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylbutan-2-yloxy)aniline.

Molecular Properties

Compound Name2-(4-morpholin-4-ylbutan-2-yloxy)aniline
PubChem CID82036952
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(4-morpholin-4-ylbutan-2-yloxy)aniline
SMILESCC(CCN1CCOCC1)Oc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-12(6-7-16-8-10-17-11-9-16)18-14-5-3-2-4-13(14)15/h2-5,12H,6-11,15H2,1H3
InChIKeyBQBUXRYLGHLCCD-UHFFFAOYSA-N
XLogP1.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride
CID 2994248
3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid
CID 82037741
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
4-chloro-2-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
CID 82037680
1-[3-(2-ethylphenoxy)butyl]piperazine
CID 112509294
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride
CID 126961345
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylbutan-2-yloxy)aniline?
The IUPAC name of 2-(4-morpholin-4-ylbutan-2-yloxy)aniline (CID 82036952) is 2-(4-morpholin-4-ylbutan-2-yloxy)aniline.
What is the SMILES notation for 2-(4-morpholin-4-ylbutan-2-yloxy)aniline?
The canonical SMILES for 2-(4-morpholin-4-ylbutan-2-yloxy)aniline is CC(CCN1CCOCC1)Oc1ccccc1N.
What is the InChIKey of 2-(4-morpholin-4-ylbutan-2-yloxy)aniline?
The InChIKey is BQBUXRYLGHLCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(6-7-16-8-10-17-11-9-16)18-14-5-3-2-4-13(14)15/h2-5,12H,6-11,15H2,1H3.
What are the key properties of 2-(4-morpholin-4-ylbutan-2-yloxy)aniline?
2-(4-morpholin-4-ylbutan-2-yloxy)aniline has a molecular weight of 250.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylbutan-2-yloxy)aniline is sourced from PubChem (CID 82036952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).