2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine

C16H24F3NO — CID 102755235

IUPAC2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)C(OC)C(C)(C)C
InChIInChI=1S/C16H24F3NO/c1-10-9-11(16(17,18)19)7-8-12(10)13(20-5)14(21-6)15(2,3)4/h7-9,13-14,20H,1-6H3
InChIKeyHAAAJXSAPIQVJY-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.34
Rot. Bonds4

About 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine

2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 102755235) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID102755235
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)C(OC)C(C)(C)C
InChIInChI=1S/C16H24F3NO/c1-10-9-11(16(17,18)19)7-8-12(10)13(20-5)14(21-6)15(2,3)4/h7-9,13-14,20H,1-6H3
InChIKeyHAAAJXSAPIQVJY-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724590
1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948125
1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859476
N-ethyl-3-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755108
2-methoxy-N,3,3-trimethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116724571
1-(4-fluorophenyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753402
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
CID 169138139
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
CID 116724573
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724444

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine (CID 102755235) is 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine is CNC(c1ccc(C(F)(F)F)cc1C)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is HAAAJXSAPIQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-10-9-11(16(17,18)19)7-8-12(10)13(20-5)14(21-6)15(2,3)4/h7-9,13-14,20H,1-6H3.
What are the key properties of 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine?
2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 102755235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).