2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline

C14H19F3N2O — CID 64533688

IUPAC2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
SMILESCC(C)N1CCOC(CNc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C14H19F3N2O/c1-9(2)19-5-6-20-10(8-19)7-18-12-4-3-11(15)13(16)14(12)17/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyPYDCKMZBRJYQFQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.62
Rot. Bonds4

About 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline

2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline (PubChem CID 64533688) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
PubChem CID64533688
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
SMILESCC(C)N1CCOC(CNc2ccc(F)c(F)c2F)C1
InChIInChI=1S/C14H19F3N2O/c1-9(2)19-5-6-20-10(8-19)7-18-12-4-3-11(15)13(16)14(12)17/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyPYDCKMZBRJYQFQ-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline 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

2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533093
2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile
CID 64533897
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 64534290
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692
4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 64534098
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64533307
3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533496
2-(2,4-dichlorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535306
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79663304
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline (CID 64533688) is 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline is CC(C)N1CCOC(CNc2ccc(F)c(F)c2F)C1.
What is the InChIKey of 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The InChIKey is PYDCKMZBRJYQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)19-5-6-20-10(8-19)7-18-12-4-3-11(15)13(16)14(12)17/h3-4,9-10,18H,5-8H2,1-2H3.
What are the key properties of 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline has a molecular weight of 288.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 64533688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).