N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine

C12H16F3NO2 — CID 82709084

IUPACN-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCC(C)CONCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-9(2)8-17-16-7-10-3-5-11(6-4-10)18-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyDDUGCABPGJDJMK-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.26
Rot. Bonds6

About N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine

N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 82709084) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID82709084
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC NameN-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCC(C)CONCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-9(2)8-17-16-7-10-3-5-11(6-4-10)18-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyDDUGCABPGJDJMK-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
2-[[4-(trifluoromethoxy)phenyl]methylamino]oxyacetamide
CID 112673035
1-(2-methylpropoxy)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115752914
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
4-methylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-2-amine
CID 115639972
2-methyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 134162201
N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 115576057

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 82709084) is N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine is CC(C)CONCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is DDUGCABPGJDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-9(2)8-17-16-7-10-3-5-11(6-4-10)18-12(13,14)15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 263.26 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 82709084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).