2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine

C13H18F3NO — CID 43190379

IUPAC2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-9(2)8-17-10(3)11-4-6-12(7-5-11)18-13(14,15)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyAYCAFNYGUAEUGA-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.89
Rot. Bonds5

About 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine

2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43190379) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
PubChem CID43190379
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-9(2)8-17-10(3)11-4-6-12(7-5-11)18-13(14,15)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyAYCAFNYGUAEUGA-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 63981698
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]but-2-en-1-amine
CID 106179794
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
CID 107270306
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine (CID 43190379) is 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine is CC(C)CNC(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is AYCAFNYGUAEUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(2)8-17-10(3)11-4-6-12(7-5-11)18-13(14,15)16/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43190379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).