[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine

C13H19ClN2O — CID 63082825

IUPAC[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
SMILESCCC1COCCN1c1cc(Cl)ccc1CN
InChIInChI=1S/C13H19ClN2O/c1-2-12-9-17-6-5-16(12)13-7-11(14)4-3-10(13)8-15/h3-4,7,12H,2,5-6,8-9,15H2,1H3
InChIKeyMYDLPCKPJXDGLV-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.41
Rot. Bonds3

About [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine

[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine (PubChem CID 63082825) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
PubChem CID63082825
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
SMILESCCC1COCCN1c1cc(Cl)ccc1CN
InChIInChI=1S/C13H19ClN2O/c1-2-12-9-17-6-5-16(12)13-7-11(14)4-3-10(13)8-15/h3-4,7,12H,2,5-6,8-9,15H2,1H3
InChIKeyMYDLPCKPJXDGLV-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 [4-chloro-2-(3-ethylmorpholin-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 [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine (CID 63082825) is [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine is CCC1COCCN1c1cc(Cl)ccc1CN.
What is the InChIKey of [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is MYDLPCKPJXDGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-12-9-17-6-5-16(12)13-7-11(14)4-3-10(13)8-15/h3-4,7,12H,2,5-6,8-9,15H2,1H3.
What are the key properties of [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine?
[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 254.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 63082825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).