4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine

C13H18F3NO — CID 64718513

IUPAC4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
SMILESCC(N)CC(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-9(7-10(2)17)8-11-3-5-12(6-4-11)18-13(14,15)16/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyBIFXRRXYGDEJFV-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.50
Rot. Bonds5

About 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine

4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine (PubChem CID 64718513) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
PubChem CID64718513
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
SMILESCC(N)CC(C)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-9(7-10(2)17)8-11-3-5-12(6-4-11)18-13(14,15)16/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyBIFXRRXYGDEJFV-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylpentyl)-4-(trifluoromethoxy)benzene
CID 64720793
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
CID 170890919
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843444
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine?
The IUPAC name of 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine (CID 64718513) is 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine?
The canonical SMILES for 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine is CC(N)CC(C)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine?
The InChIKey is BIFXRRXYGDEJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(7-10(2)17)8-11-3-5-12(6-4-11)18-13(14,15)16/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine?
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine is sourced from PubChem (CID 64718513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).