4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine

C10H19F3N2O — CID 79092486

IUPAC4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C10H19F3N2O/c1-14-8(3-4-10(11,12)13)9-7-15(2)5-6-16-9/h8-9,14H,3-7H2,1-2H3
InChIKeyMHGZEZKSRJWHAX-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine

4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine (PubChem CID 79092486) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine
PubChem CID79092486
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1CN(C)CCO1
InChIInChI=1S/C10H19F3N2O/c1-14-8(3-4-10(11,12)13)9-7-15(2)5-6-16-9/h8-9,14H,3-7H2,1-2H3
InChIKeyMHGZEZKSRJWHAX-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-N-methylcyclohexan-1-amine
CID 68387798
(2S,6R)-4-[(3S,4R)-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
CID 118406808
(2S,6R)-4-(3-fluoropiperidin-4-yl)-2,6-dimethylmorpholine
CID 118407419
4-(4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-yl)piperidine
CID 121204116
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
CID 122669558
4-N-(2-ethoxy-3,3,3-trifluoropropyl)cyclohexane-1,4-diamine
CID 123436184
4-[2-(Dimethylamino)ethoxy]-6-(trifluoromethyl)piperidin-3-amine
CID 123775383
4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine
CID 124192518
4-(3-Fluoropiperidin-4-yl)-2,6-dimethylmorpholine
CID 126517839
2-(Methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine
CID 134445087

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine (CID 79092486) is 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine is CNC(CCC(F)(F)F)C1CN(C)CCO1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine?
The InChIKey is MHGZEZKSRJWHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-14-8(3-4-10(11,12)13)9-7-15(2)5-6-16-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(4-methylmorpholin-2-yl)butan-1-amine is sourced from PubChem (CID 79092486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).