(4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine

C12H17ClN2O — CID 71683229

IUPAC(4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(C(N)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2O/c1-15-6-7-16-11(8-15)12(14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-8,14H2,1H3
InChIKeyRHYYQGWSIACSKC-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.67
Rot. Bonds2

About (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine

(4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine (PubChem CID 71683229) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine
PubChem CID71683229
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(C(N)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2O/c1-15-6-7-16-11(8-15)12(14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-8,14H2,1H3
InChIKeyRHYYQGWSIACSKC-UHFFFAOYSA-N
XLogP1.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-(4-methylmorpholin-2-yl)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-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine (CID 71683229) is (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine is CN1CCOC(C(N)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is RHYYQGWSIACSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15-6-7-16-11(8-15)12(14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-8,14H2,1H3.
What are the key properties of (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine?
(4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 240.73 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 71683229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).