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

C16H22F3N — CID 62714066

IUPAC2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CC1(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-11(2)9-20-10-12-8-15(12,3)13-6-4-5-7-14(13)16(17,18)19/h4-7,11-12,20H,8-10H2,1-3H3
InChIKeySQMZUDSXZCFEIZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.23
Rot. Bonds5

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

2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine (PubChem CID 62714066) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
PubChem CID62714066
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CC1(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-11(2)9-20-10-12-8-15(12,3)13-6-4-5-7-14(13)16(17,18)19/h4-7,11-12,20H,8-10H2,1-3H3
InChIKeySQMZUDSXZCFEIZ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.23
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-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine (CID 62714066) is 2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine is CC(C)CNCC1CC1(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine?
The InChIKey is SQMZUDSXZCFEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11(2)9-20-10-12-8-15(12,3)13-6-4-5-7-14(13)16(17,18)19/h4-7,11-12,20H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.23, 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-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 62714066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).