N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide

C14H19F3N2O2 — CID 43573888

IUPACN,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide
SMILESCC(NC(C)c1ccc(OC(F)(F)F)cc1)C(=O)N(C)C
InChIInChI=1S/C14H19F3N2O2/c1-9(18-10(2)13(20)19(3)4)11-5-7-12(8-6-11)21-14(15,16)17/h5-10,18H,1-4H3
InChIKeyQNUBPQVMFZPHQN-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.71
Rot. Bonds5

About N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide

N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide (PubChem CID 43573888) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide
PubChem CID43573888
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide
SMILESCC(NC(C)c1ccc(OC(F)(F)F)cc1)C(=O)N(C)C
InChIInChI=1S/C14H19F3N2O2/c1-9(18-10(2)13(20)19(3)4)11-5-7-12(8-6-11)21-14(15,16)17/h5-10,18H,1-4H3
InChIKeyQNUBPQVMFZPHQN-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
2-methyl-3-[methyl-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoyl]amino]propanoic acid
CID 122011647
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
2-methyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-one
CID 79298920
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 11608837
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]heptan-2-amine
CID 43572679

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide (CID 43573888) is N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide is CC(NC(C)c1ccc(OC(F)(F)F)cc1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide?
The InChIKey is QNUBPQVMFZPHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(18-10(2)13(20)19(3)4)11-5-7-12(8-6-11)21-14(15,16)17/h5-10,18H,1-4H3.
What are the key properties of N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide?
N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propanamide is sourced from PubChem (CID 43573888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).