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

C13H18F3NO — CID 89494915

IUPAC5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine
SMILESCc1ccc(OC(F)(F)F)cc1CCCC(C)N
InChIInChI=1S/C13H18F3NO/c1-9-6-7-12(18-13(14,15)16)8-11(9)5-3-4-10(2)17/h6-8,10H,3-5,17H2,1-2H3
InChIKeyMFIVZAIWUHQGDQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.56
Rot. Bonds5

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

5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine (PubChem CID 89494915) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine.

Molecular Properties

Compound Name5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine
PubChem CID89494915
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine
SMILESCc1ccc(OC(F)(F)F)cc1CCCC(C)N
InChIInChI=1S/C13H18F3NO/c1-9-6-7-12(18-13(14,15)16)8-11(9)5-3-4-10(2)17/h6-8,10H,3-5,17H2,1-2H3
InChIKeyMFIVZAIWUHQGDQ-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[2-methyl-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 89494916
2-(2-aminopropyl)-4-(trifluoromethoxy)phenol
CID 170890931
4-(difluoromethoxy)-2-ethyl-1-methylbenzene;2-ethyl-1-methyl-4-propan-2-yloxybenzene;2-ethyl-1-methyl-4-(trifluoromethoxy)benzene
CID 91000762
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine?
The IUPAC name of 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine (CID 89494915) is 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine.
What is the SMILES notation for 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine?
The canonical SMILES for 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine is Cc1ccc(OC(F)(F)F)cc1CCCC(C)N.
What is the InChIKey of 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine?
The InChIKey is MFIVZAIWUHQGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9-6-7-12(18-13(14,15)16)8-11(9)5-3-4-10(2)17/h6-8,10H,3-5,17H2,1-2H3.
What are the key properties of 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine?
5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine is sourced from PubChem (CID 89494915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).