N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine

C11H14F3N — CID 21287321

IUPACN-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N/c1-15-7-3-5-9-4-2-6-10(8-9)11(12,13)14/h2,4,6,8,15H,3,5,7H2,1H3
InChIKeySHWAZXOSHBKWDL-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.86
Rot. Bonds4

About N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine

N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 21287321) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID21287321
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3N/c1-15-7-3-5-9-4-2-6-10(8-9)11(12,13)14/h2,4,6,8,15H,3,5,7H2,1H3
InChIKeySHWAZXOSHBKWDL-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 21287321) is N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine is CNCCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is SHWAZXOSHBKWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-15-7-3-5-9-4-2-6-10(8-9)11(12,13)14/h2,4,6,8,15H,3,5,7H2,1H3.
What are the key properties of N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 21287321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).