2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

C12H24F3NO — CID 62725155

IUPAC2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)CNCC(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-10(2)7-16-8-11(3,4)5-6-17-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyUYLHTDBREMTLHC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds8

About 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62725155) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62725155
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)CNCC(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-10(2)7-16-8-11(3,4)5-6-17-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyUYLHTDBREMTLHC-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.23
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

2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83151326
2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine
CID 79621624
3,3-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 106146509
2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139638
6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 104649302
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 106205944
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442
N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723721
2,2-dimethyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 62725135
2-methyl-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106706230

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62725155) is 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is CC(C)CNCC(C)(C)CCOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is UYLHTDBREMTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-10(2)7-16-8-11(3,4)5-6-17-9-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62725155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).