N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine

C14H20F3N — CID 11842617

IUPACN-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)N(Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C14H20F3N/c1-10(2)18(11(3)4)9-12-6-5-7-13(8-12)14(15,16)17/h5-8,10-11H,9H2,1-4H3
InChIKeyQAPVAFJJVVMTQF-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.32
Rot. Bonds4

About N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine

N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 11842617) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID11842617
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)N(Cc1cccc(C(F)(F)F)c1)C(C)C
InChIInChI=1S/C14H20F3N/c1-10(2)18(11(3)4)9-12-6-5-7-13(8-12)14(15,16)17/h5-8,10-11H,9H2,1-4H3
InChIKeyQAPVAFJJVVMTQF-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 11842617) is N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine is CC(C)N(Cc1cccc(C(F)(F)F)c1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is QAPVAFJJVVMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10(2)18(11(3)4)9-12-6-5-7-13(8-12)14(15,16)17/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine?
N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 11842617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).