2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine

C15H21F3N2O — CID 79057610

IUPAC2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
SMILESCCC(C)(C(N)c1ccc(F)c(F)c1F)N1CCOCC1
InChIInChI=1S/C15H21F3N2O/c1-3-15(2,20-6-8-21-9-7-20)14(19)10-4-5-11(16)13(18)12(10)17/h4-5,14H,3,6-9,19H2,1-2H3
InChIKeyLCFRWXPLEBWWLZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine

2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine (PubChem CID 79057610) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
PubChem CID79057610
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
SMILESCCC(C)(C(N)c1ccc(F)c(F)c1F)N1CCOCC1
InChIInChI=1S/C15H21F3N2O/c1-3-15(2,20-6-8-21-9-7-20)14(19)10-4-5-11(16)13(18)12(10)17/h4-5,14H,3,6-9,19H2,1-2H3
InChIKeyLCFRWXPLEBWWLZ-UHFFFAOYSA-N
XLogP2.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine 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-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(2,5-difluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065702
1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065259
1-(2-ethoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79057615
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723
1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057613
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
[1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-yl]hydrazine
CID 105241498
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine (CID 79057610) is 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine is CCC(C)(C(N)c1ccc(F)c(F)c1F)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine?
The InChIKey is LCFRWXPLEBWWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-15(2,20-6-8-21-9-7-20)14(19)10-4-5-11(16)13(18)12(10)17/h4-5,14H,3,6-9,19H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine?
2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine has a molecular weight of 302.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine is sourced from PubChem (CID 79057610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).