N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

C14H20F3N — CID 63890866

IUPACN,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCNC(CC(C)(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-13(2,3)9-12(18-4)10-7-5-6-8-11(10)14(15,16)17/h5-8,12,18H,9H2,1-4H3
InChIKeyDPCGEOWMFDIEMR-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.40
Rot. Bonds3

About N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 63890866) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID63890866
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCNC(CC(C)(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-13(2,3)9-12(18-4)10-7-5-6-8-11(10)14(15,16)17/h5-8,12,18H,9H2,1-4H3
InChIKeyDPCGEOWMFDIEMR-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61078717
N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
CID 115845337
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853824
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (CID 63890866) is N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is CNC(CC(C)(C)C)c1ccccc1C(F)(F)F.
What is the InChIKey of N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is DPCGEOWMFDIEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-13(2,3)9-12(18-4)10-7-5-6-8-11(10)14(15,16)17/h5-8,12,18H,9H2,1-4H3.
What are the key properties of N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 63890866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).