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

C15H21F3N2O — CID 83105058

IUPACN-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11(2)19-9-14-10-21-8-7-20(14)13-5-3-12(4-6-13)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3
InChIKeyWRNBVMIRVXSIKQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.91
Rot. Bonds4

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

N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83105058) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine
PubChem CID83105058
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11(2)19-9-14-10-21-8-7-20(14)13-5-3-12(4-6-13)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3
InChIKeyWRNBVMIRVXSIKQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
4-(Morpholinomethyl)aniline
CID 776851
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
(4-Methylbenzyl)(4-morpholin-4-ylphenyl)amine
CID 961186
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
1-(p-Tolyl)piperazine
CID 83113
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
N-(4-methylphenyl)-2-morpholinoacetamide
CID 687267
2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 291811

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine (CID 83105058) is N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is WRNBVMIRVXSIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(2)19-9-14-10-21-8-7-20(14)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-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine?
N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83105058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).