N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H18F3NO — CID 156847023

IUPACN-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)OCCCN(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2)14-6-4-5-13(3)7-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyYJLXGHVCYZKNDA-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds6

About N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 156847023) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID156847023
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)OCCCN(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2)14-6-4-5-13(3)7-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyYJLXGHVCYZKNDA-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
Triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium
CID 57074527
3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
CID 90245806
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
3,3-Difluoro-1-methyl-4-propan-2-yloxypiperidine
CID 124162743
3-Fluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262373
3,3-Difluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262376
3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine
CID 134269872
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 156847023) is N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)OCCCN(C)CC(F)(F)F.
What is the InChIKey of N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is YJLXGHVCYZKNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2)14-6-4-5-13(3)7-9(10,11)12/h8H,4-7H2,1-3H3.
What are the key properties of N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 156847023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).