1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine

C16H24ClN3O — CID 81144025

IUPAC1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC(N3CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-18-11-13-2-3-16(15(17)10-13)20-5-4-14(12-20)19-6-8-21-9-7-19/h2-3,10,14,18H,4-9,11-12H2,1H3
InChIKeyCGBCPJSYJMGGBZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.97
Rot. Bonds4

About 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine

1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 81144025) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
PubChem CID81144025
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCC(N3CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-18-11-13-2-3-16(15(17)10-13)20-5-4-14(12-20)19-6-8-21-9-7-19/h2-3,10,14,18H,4-9,11-12H2,1H3
InChIKeyCGBCPJSYJMGGBZ-UHFFFAOYSA-N
XLogP1.97
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine 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 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine (CID 81144025) is 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine is CNCc1ccc(N2CCC(N3CCOCC3)C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is CGBCPJSYJMGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-18-11-13-2-3-16(15(17)10-13)20-5-4-14(12-20)19-6-8-21-9-7-19/h2-3,10,14,18H,4-9,11-12H2,1H3.
What are the key properties of 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine?
1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 309.84 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81144025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).