2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine

C15H22F3NO — CID 83142342

IUPAC2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
SMILESCC(CNCc1ccccc1OC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H22F3NO/c1-11(14(2,3)4)9-19-10-12-7-5-6-8-13(12)20-15(16,17)18/h5-8,11,19H,9-10H2,1-4H3
InChIKeyKWPQGOIGKSQTJC-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.36
Rot. Bonds5

About 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine

2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine (PubChem CID 83142342) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
PubChem CID83142342
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
SMILESCC(CNCc1ccccc1OC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H22F3NO/c1-11(14(2,3)4)9-19-10-12-7-5-6-8-13(12)20-15(16,17)18/h5-8,11,19H,9-10H2,1-4H3
InChIKeyKWPQGOIGKSQTJC-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 106170862
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
2-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 104588599
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2,2-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanenitrile
CID 104587087
1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 82945948
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine (CID 83142342) is 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine is CC(CNCc1ccccc1OC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine?
The InChIKey is KWPQGOIGKSQTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(14(2,3)4)9-19-10-12-7-5-6-8-13(12)20-15(16,17)18/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine?
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 83142342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).