[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine

C13H19ClN2O — CID 62494323

IUPAC[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2ccc(Cl)cc2CN)CCO1
InChIInChI=1S/C13H19ClN2O/c1-13(2)9-16(5-6-17-13)12-4-3-11(14)7-10(12)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyKPFDTKZTRQUYMZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.41
Rot. Bonds2

About [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine

[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine (PubChem CID 62494323) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine
PubChem CID62494323
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine
SMILESCC1(C)CN(c2ccc(Cl)cc2CN)CCO1
InChIInChI=1S/C13H19ClN2O/c1-13(2)9-16(5-6-17-13)12-4-3-11(14)7-10(12)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyKPFDTKZTRQUYMZ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine (CID 62494323) is [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine is CC1(C)CN(c2ccc(Cl)cc2CN)CCO1.
What is the InChIKey of [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is KPFDTKZTRQUYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2)9-16(5-6-17-13)12-4-3-11(14)7-10(12)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3.
What are the key properties of [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine?
[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 254.76 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 62494323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).