N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline

C15H21F3N2O — CID 64534290

IUPACN-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCC(C)N1CCOC(CNc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H21F3N2O/c1-11(2)20-7-8-21-14(10-20)9-19-13-5-3-12(4-6-13)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3
InChIKeyHLVJSUUQISJAGG-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.23
Rot. Bonds4

About N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline

N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline (PubChem CID 64534290) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline
PubChem CID64534290
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline
SMILESCC(C)N1CCOC(CNc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H21F3N2O/c1-11(2)20-7-8-21-14(10-20)9-19-13-5-3-12(4-6-13)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3
InChIKeyHLVJSUUQISJAGG-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 64534098
3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533496
2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533688
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781
2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533093
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
CID 146614610
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212449
2,3-dimethyl-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]butan-2-ol
CID 106189997
2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile
CID 64533897

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline (CID 64534290) is N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline is CC(C)N1CCOC(CNc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is HLVJSUUQISJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(2)20-7-8-21-14(10-20)9-19-13-5-3-12(4-6-13)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline?
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline has a molecular weight of 302.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 64534290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).