N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine

C13H18F3N — CID 101465412

IUPACN,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
SMILESCCN(CC)C(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-3-17(4-2)12(13(14,15)16)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeySQFGVHPAGLJXGC-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.50
Rot. Bonds5

About N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine

N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine (PubChem CID 101465412) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
PubChem CID101465412
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
SMILESCCN(CC)C(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-3-17(4-2)12(13(14,15)16)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeySQFGVHPAGLJXGC-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-1-phenylpropan-2-amine
CID 521361
N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine
CID 154197554
(2-ethyl-3,3-difluoropentyl)benzene
CID 171834492
(2-ethyl-3,3-difluoropentyl)benzene;propane
CID 171834491
1,1,1-trifluoro-3-phenylpropane-2-thiol
CID 71774417
[3,3,3-trifluoro-2-(1,1,1-trifluoro-3-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 71651377
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630
1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
CID 134929442
N,N-diethyl-1,4-diphenylbut-3-yn-2-amine
CID 23239570
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
CID 173350029
2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55089287

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine?
The IUPAC name of N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine (CID 101465412) is N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine.
What is the SMILES notation for N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine?
The canonical SMILES for N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine is CCN(CC)C(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine?
The InChIKey is SQFGVHPAGLJXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-3-17(4-2)12(13(14,15)16)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine?
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine has a molecular weight of 245.29 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine is sourced from PubChem (CID 101465412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).