3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine

C8H16F3NO — CID 64555007

IUPAC3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESCOCC(C)CNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(6-13-2)5-12-4-3-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyRWBFRZKWCMKKTC-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.81
Rot. Bonds6

About 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine

3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine (PubChem CID 64555007) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
PubChem CID64555007
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESCOCC(C)CNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(6-13-2)5-12-4-3-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyRWBFRZKWCMKKTC-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-Methoxy-2-(trifluoromethyl)propyl](methyl)amine hydrochloride
CID 177800756
3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43153293
N-(2,2-difluoroethyl)-2,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 58303694
2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 58303698
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 64984809
2-methyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65802991
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84716193
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
CID 88936095
3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 88936096
N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
CID 89110455

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine (CID 64555007) is 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine is COCC(C)CNCCC(F)(F)F.
What is the InChIKey of 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The InChIKey is RWBFRZKWCMKKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(6-13-2)5-12-4-3-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine is sourced from PubChem (CID 64555007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).