3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline

C15H23N3O — CID 134589287

IUPAC3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline
SMILESCc1cc(N)cc(N2CC(N3CCOCC3)C2)c1C
InChIInChI=1S/C15H23N3O/c1-11-7-13(16)8-15(12(11)2)18-9-14(10-18)17-3-5-19-6-4-17/h7-8,14H,3-6,9-10,16H2,1-2H3
InChIKeyBILGSGQNVJSJOP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.41
Rot. Bonds2

About 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline

3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline (PubChem CID 134589287) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline.

Molecular Properties

Compound Name3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline
PubChem CID134589287
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline
SMILESCc1cc(N)cc(N2CC(N3CCOCC3)C2)c1C
InChIInChI=1S/C15H23N3O/c1-11-7-13(16)8-15(12(11)2)18-9-14(10-18)17-3-5-19-6-4-17/h7-8,14H,3-6,9-10,16H2,1-2H3
InChIKeyBILGSGQNVJSJOP-UHFFFAOYSA-N
XLogP1.41
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.41
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

1-(3,5-difluorophenyl)-N-[3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 134589734
4-[1-(4,5-dimethylpyridazin-3-yl)azetidin-3-yl]morpholine
CID 146038589
3-methyl-4-morpholin-4-ylaniline
CID 10607787
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
3-bromo-5-methyl-4-morpholin-4-ylaniline
CID 50879612
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
4-(1-quinolin-4-ylazetidin-3-yl)morpholine
CID 175649050
(9aS)-8-(4-methylphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 171622300
1-(5-amino-2,3-dimethylphenyl)pyrrolidin-2-one
CID 13062320
1-(3,5-difluorophenyl)-N-[4-methyl-3-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 134606156
4-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]morpholine
CID 72853494
2-[5-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80637179

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline?
The IUPAC name of 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline (CID 134589287) is 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline.
What is the SMILES notation for 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline?
The canonical SMILES for 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline is Cc1cc(N)cc(N2CC(N3CCOCC3)C2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline?
The InChIKey is BILGSGQNVJSJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-7-13(16)8-15(12(11)2)18-9-14(10-18)17-3-5-19-6-4-17/h7-8,14H,3-6,9-10,16H2,1-2H3.
What are the key properties of 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline?
3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline has a molecular weight of 261.37 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline is sourced from PubChem (CID 134589287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).