2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine

C17H28N2O — CID 62120829

IUPAC2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1N1CCOC(C)C1
InChIInChI=1S/C17H28N2O/c1-13-10-15(11-18-17(3,4)5)6-7-16(13)19-8-9-20-14(2)12-19/h6-7,10,14,18H,8-9,11-12H2,1-5H3
InChIKeyBTNUCWFFXGQSHX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine (PubChem CID 62120829) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
PubChem CID62120829
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1N1CCOC(C)C1
InChIInChI=1S/C17H28N2O/c1-13-10-15(11-18-17(3,4)5)6-7-16(13)19-8-9-20-14(2)12-19/h6-7,10,14,18H,8-9,11-12H2,1-5H3
InChIKeyBTNUCWFFXGQSHX-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine 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 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine (CID 62120829) is 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine is Cc1cc(CNC(C)(C)C)ccc1N1CCOC(C)C1.
What is the InChIKey of 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The InChIKey is BTNUCWFFXGQSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-10-15(11-18-17(3,4)5)6-7-16(13)19-8-9-20-14(2)12-19/h6-7,10,14,18H,8-9,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62120829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).