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

C19H27N3O3 — CID 68685508

IUPACaniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
SMILESCOc1cc(OCCN2CCOCC2)ccc1N.Nc1ccccc1
InChIInChI=1S/C13H20N2O3.C6H7N/c1-16-13-10-11(2-3-12(13)14)18-9-6-15-4-7-17-8-5-15;7-6-4-2-1-3-5-6/h2-3,10H,4-9,14H2,1H3;1-5H,7H2
InChIKeySQWFNZDDUBTZFI-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.26
Rot. Bonds5

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

aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline (PubChem CID 68685508) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline.

Molecular Properties

Compound Nameaniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
PubChem CID68685508
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameaniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
SMILESCOc1cc(OCCN2CCOCC2)ccc1N.Nc1ccccc1
InChIInChI=1S/C13H20N2O3.C6H7N/c1-16-13-10-11(2-3-12(13)14)18-9-6-15-4-7-17-8-5-15;7-6-4-2-1-3-5-6/h2-3,10H,4-9,14H2,1H3;1-5H,7H2
InChIKeySQWFNZDDUBTZFI-UHFFFAOYSA-N
XLogP2.26
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115
4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
CID 11404189
4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
CID 154418402
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
4-[2-[4-(5-methoxy-2-phenylinden-2-yl)phenoxy]ethyl]morpholine
CID 101291612
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 68628677
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407

Frequently Asked Questions

What is the IUPAC name of aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline?
The IUPAC name of aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline (CID 68685508) is aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline.
What is the SMILES notation for aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline?
The canonical SMILES for aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline is COc1cc(OCCN2CCOCC2)ccc1N.Nc1ccccc1.
What is the InChIKey of aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline?
The InChIKey is SQWFNZDDUBTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.C6H7N/c1-16-13-10-11(2-3-12(13)14)18-9-6-15-4-7-17-8-5-15;7-6-4-2-1-3-5-6/h2-3,10H,4-9,14H2,1H3;1-5H,7H2.
What are the key properties of aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline?
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline has a molecular weight of 345.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline is sourced from PubChem (CID 68685508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).