2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline

C13H19ClN2O — CID 91671967

IUPAC2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline
SMILESCC(C)c1cc(N2CCOCC2)cc(Cl)c1N
InChIInChI=1S/C13H19ClN2O/c1-9(2)11-7-10(8-12(14)13(11)15)16-3-5-17-6-4-16/h7-9H,3-6,15H2,1-2H3
InChIKeyCWOYSFUTEWGHAP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline

2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline (PubChem CID 91671967) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline
PubChem CID91671967
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline
SMILESCC(C)c1cc(N2CCOCC2)cc(Cl)c1N
InChIInChI=1S/C13H19ClN2O/c1-9(2)11-7-10(8-12(14)13(11)15)16-3-5-17-6-4-16/h7-9H,3-6,15H2,1-2H3
InChIKeyCWOYSFUTEWGHAP-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
2,4-dichloro-6-propan-2-ylaniline
CID 20689392
4-(4-propan-2-yl-1H-indazol-6-yl)morpholine
CID 167286378
4-(3-fluoro-5-propan-2-ylphenyl)morpholine
CID 58780458
CID 88962202
CID 88962202
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
2-ethyl-6-methyl-4-morpholin-4-ylaniline
CID 83707293
2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
3-amino-5-morpholin-4-ylphenol
CID 155639936
3-chloro-5-morpholin-4-ylphenol
CID 130057558
2-chloro-6-ethyl-4-(4-phenylpiperazin-1-yl)aniline
CID 91671961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline?
The IUPAC name of 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline (CID 91671967) is 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline.
What is the SMILES notation for 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline?
The canonical SMILES for 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline is CC(C)c1cc(N2CCOCC2)cc(Cl)c1N.
What is the InChIKey of 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline?
The InChIKey is CWOYSFUTEWGHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)11-7-10(8-12(14)13(11)15)16-3-5-17-6-4-16/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline?
2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline has a molecular weight of 254.76 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline is sourced from PubChem (CID 91671967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).