N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine

C21H28N2O — CID 110823414

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine
SMILESCC1CN(c2ccc(CNCCc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C21H28N2O/c1-17-15-23(16-18(2)24-17)21-10-8-20(9-11-21)14-22-13-12-19-6-4-3-5-7-19/h3-11,17-18,22H,12-16H2,1-2H3
InChIKeyFZXZMRLPMKHDMA-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.63
Rot. Bonds6

About N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine

N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine (PubChem CID 110823414) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine
PubChem CID110823414
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine
SMILESCC1CN(c2ccc(CNCCc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C21H28N2O/c1-17-15-23(16-18(2)24-17)21-10-8-20(9-11-21)14-22-13-12-19-6-4-3-5-7-19/h3-11,17-18,22H,12-16H2,1-2H3
InChIKeyFZXZMRLPMKHDMA-UHFFFAOYSA-N
XLogP3.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279
1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-phenylethyl)thiourea
CID 55639634
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545831
(2S)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 59545911
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]propan-1-amine
CID 104960962
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine (CID 110823414) is N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine is CC1CN(c2ccc(CNCCc3ccccc3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine?
The InChIKey is FZXZMRLPMKHDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-15-23(16-18(2)24-17)21-10-8-20(9-11-21)14-22-13-12-19-6-4-3-5-7-19/h3-11,17-18,22H,12-16H2,1-2H3.
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine?
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine has a molecular weight of 324.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine is sourced from PubChem (CID 110823414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).