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

C8H16F3NO — CID 104760312

IUPAC2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESCOC(C)(C)CNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,13-3)6-12-5-4-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyCJUDTSQKANXTGO-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds5

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

2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine (PubChem CID 104760312) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
PubChem CID104760312
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESCOC(C)(C)CNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,13-3)6-12-5-4-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyCJUDTSQKANXTGO-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
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

2-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 115363475
N-(2-methoxyethyl)-N'-(2-methoxy-2-methylpropyl)ethane-1,2-diamine
CID 103019907
N-(2-methoxy-2-methylpropyl)-2,2-dimethylpropan-1-amine
CID 115656153
4-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 106139906
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103037242
3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 103033421
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
N-ethyl-2-methoxy-2-methylpropan-1-amine;molecular hydrogen
CID 165411003
3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine (CID 104760312) is 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine is COC(C)(C)CNCCC(F)(F)F.
What is the InChIKey of 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The InChIKey is CJUDTSQKANXTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,13-3)6-12-5-4-8(9,10)11/h12H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine is sourced from PubChem (CID 104760312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).