3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline

C12H18N2O — CID 93111224

IUPAC3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline
SMILESCc1cc(N)ccc1N1CCOC[C@@H]1C
InChIInChI=1S/C12H18N2O/c1-9-7-11(13)3-4-12(9)14-5-6-15-8-10(14)2/h3-4,7,10H,5-6,8,13H2,1-2H3/t10-/m0/s1
InChIKeyOCPKBSCHLDFAHL-JTQLQIEISA-N
MW206.29 g/mol
LogP1.80
Rot. Bonds1

About 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline

3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline (PubChem CID 93111224) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline.

Molecular Properties

Compound Name3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline
PubChem CID93111224
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline
SMILESCc1cc(N)ccc1N1CCOC[C@@H]1C
InChIInChI=1S/C12H18N2O/c1-9-7-11(13)3-4-12(9)14-5-6-15-8-10(14)2/h3-4,7,10H,5-6,8,13H2,1-2H3/t10-/m0/s1
InChIKeyOCPKBSCHLDFAHL-JTQLQIEISA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.80
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

[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 62121725
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673
3-methyl-4-morpholin-4-ylaniline
CID 10607787
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline
CID 118938849
3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
CID 82989189
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
1-[2-(3-methylmorpholin-4-yl)phenyl]ethanol
CID 43542345
6-methyl-2-(3-methylmorpholin-4-yl)pyridin-3-amine
CID 81131826
5-bromo-N'-hydroxy-2-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 114892403

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline?
The IUPAC name of 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline (CID 93111224) is 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline.
What is the SMILES notation for 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline?
The canonical SMILES for 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline is Cc1cc(N)ccc1N1CCOC[C@@H]1C.
What is the InChIKey of 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline?
The InChIKey is OCPKBSCHLDFAHL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-11(13)3-4-12(9)14-5-6-15-8-10(14)2/h3-4,7,10H,5-6,8,13H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline?
3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline has a molecular weight of 206.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline is sourced from PubChem (CID 93111224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).