2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine

C6H12F3NO — CID 82712083

IUPAC2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)CNOCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(2)3-10-11-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyNPJMQQDDZDTPDT-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.73
Rot. Bonds4

About 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine

2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 82712083) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID82712083
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)CNOCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(2)3-10-11-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyNPJMQQDDZDTPDT-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine (CID 82712083) is 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine is CC(C)CNOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is NPJMQQDDZDTPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-5(2)3-10-11-4-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine?
2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 82712083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).