2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline

C12H17ClN2O — CID 104834174

IUPAC2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline
SMILESCC1(C)CN(c2cccc(Cl)c2N)CCO1
InChIInChI=1S/C12H17ClN2O/c1-12(2)8-15(6-7-16-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3
InChIKeyDHWHFANCHDEIKU-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.54
Rot. Bonds1

About 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline

2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline (PubChem CID 104834174) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline
PubChem CID104834174
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline
SMILESCC1(C)CN(c2cccc(Cl)c2N)CCO1
InChIInChI=1S/C12H17ClN2O/c1-12(2)8-15(6-7-16-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3
InChIKeyDHWHFANCHDEIKU-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline?
The IUPAC name of 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline (CID 104834174) is 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline.
What is the SMILES notation for 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline?
The canonical SMILES for 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline is CC1(C)CN(c2cccc(Cl)c2N)CCO1.
What is the InChIKey of 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline?
The InChIKey is DHWHFANCHDEIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2)8-15(6-7-16-12)10-5-3-4-9(13)11(10)14/h3-5H,6-8,14H2,1-2H3.
What are the key properties of 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline?
2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline has a molecular weight of 240.73 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,2-dimethylmorpholin-4-yl)aniline is sourced from PubChem (CID 104834174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).