1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine

C10H20F3NO — CID 106676425

IUPAC1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(CC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-5-6-14-8(10(11,12)13)7-9(2,3)15-4/h8,14H,5-7H2,1-4H3
InChIKeyMFBROMLBYMVGNI-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds6

About 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine

1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 106676425) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID106676425
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(CC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-5-6-14-8(10(11,12)13)7-9(2,3)15-4/h8,14H,5-7H2,1-4H3
InChIKeyMFBROMLBYMVGNI-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Tert-butoxy)-2,2-difluoropropyl](propan-2-yl)amine
CID 135173990
(2S)-N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methylbutan-2-amine
CID 173766725
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
4-methoxy-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentan-2-amine
CID 60855132
4-Methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
CID 60997688
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 61491008
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 61491047
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-propyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 64706243
N-ethyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 64706655
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 106676425) is 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(CC(C)(C)OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is MFBROMLBYMVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-5-6-14-8(10(11,12)13)7-9(2,3)15-4/h8,14H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine?
1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 106676425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).