N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine

C13H18F3N — CID 62802487

IUPACN,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1ccccc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H18F3N/c1-12(2,3)11(17-4)9-7-5-6-8-10(9)13(14,15)16/h5-8,11,17H,1-4H3
InChIKeyOQCHTDYBEDKPCG-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.01
Rot. Bonds2

About N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine

N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 62802487) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID62802487
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1ccccc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H18F3N/c1-12(2,3)11(17-4)9-7-5-6-8-10(9)13(14,15)16/h5-8,11,17H,1-4H3
InChIKeyOQCHTDYBEDKPCG-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853824
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
1-(3-bromo-4-methylpentan-2-yl)-2-(trifluoromethyl)benzene
CID 79299203
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine
CID 84668909

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 62802487) is N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine is CNC(c1ccccc1C(F)(F)F)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is OQCHTDYBEDKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-12(2,3)11(17-4)9-7-5-6-8-10(9)13(14,15)16/h5-8,11,17H,1-4H3.
What are the key properties of N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 62802487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).