2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine

C15H20F3N — CID 62713530

IUPAC2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-10(2)8-19-9-12-7-14(12)11-3-5-13(6-4-11)15(16,17)18/h3-6,10,12,14,19H,7-9H2,1-2H3
InChIKeyOYNSOJUPTCVFER-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.05
Rot. Bonds5

About 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine

2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine (PubChem CID 62713530) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
PubChem CID62713530
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-10(2)8-19-9-12-7-14(12)11-3-5-13(6-4-11)15(16,17)18/h3-6,10,12,14,19H,7-9H2,1-2H3
InChIKeyOYNSOJUPTCVFER-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine (CID 62713530) is 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine is CC(C)CNCC1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine?
The InChIKey is OYNSOJUPTCVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10(2)8-19-9-12-7-14(12)11-3-5-13(6-4-11)15(16,17)18/h3-6,10,12,14,19H,7-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine?
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 62713530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).