4-chloro-2-(2-methylmorpholin-4-yl)aniline

C11H15ClN2O — CID 115468437

IUPAC4-chloro-2-(2-methylmorpholin-4-yl)aniline
SMILESCC1CN(c2cc(Cl)ccc2N)CCO1
InChIInChI=1S/C11H15ClN2O/c1-8-7-14(4-5-15-8)11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyFYPFXGAQPVOALU-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.15
Rot. Bonds1

About 4-chloro-2-(2-methylmorpholin-4-yl)aniline

4-chloro-2-(2-methylmorpholin-4-yl)aniline (PubChem CID 115468437) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-2-(2-methylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-methylmorpholin-4-yl)aniline
PubChem CID115468437
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-2-(2-methylmorpholin-4-yl)aniline
SMILESCC1CN(c2cc(Cl)ccc2N)CCO1
InChIInChI=1S/C11H15ClN2O/c1-8-7-14(4-5-15-8)11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyFYPFXGAQPVOALU-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.15
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

5-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 16772686
5-chloro-2-(2-methyl-1,4-oxazepan-4-yl)aniline
CID 62987436
5-chloro-4-fluoro-2-(2-methylmorpholin-4-yl)aniline
CID 66076593
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114847342
4-chloro-2-[(3R)-3-methylpiperazin-1-yl]aniline
CID 21034047
4-(3-chlorophenyl)-2-methylmorpholine
CID 170319463
N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114847339
2-(2-methylmorpholin-4-yl)-5-nitroaniline
CID 55080390
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
CID 63360895
5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline
CID 112737469
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol
CID 106667619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylmorpholin-4-yl)aniline?
The IUPAC name of 4-chloro-2-(2-methylmorpholin-4-yl)aniline (CID 115468437) is 4-chloro-2-(2-methylmorpholin-4-yl)aniline.
What is the SMILES notation for 4-chloro-2-(2-methylmorpholin-4-yl)aniline?
The canonical SMILES for 4-chloro-2-(2-methylmorpholin-4-yl)aniline is CC1CN(c2cc(Cl)ccc2N)CCO1.
What is the InChIKey of 4-chloro-2-(2-methylmorpholin-4-yl)aniline?
The InChIKey is FYPFXGAQPVOALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-7-14(4-5-15-8)11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 4-chloro-2-(2-methylmorpholin-4-yl)aniline?
4-chloro-2-(2-methylmorpholin-4-yl)aniline has a molecular weight of 226.71 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylmorpholin-4-yl)aniline is sourced from PubChem (CID 115468437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).