2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine

C11H14F3N — CID 63051342

IUPAC2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H14F3N/c1-11(2,3)15-6-7-4-8(12)10(14)9(13)5-7/h4-5,15H,6H2,1-3H3
InChIKeyWXKZYADFNJAAQI-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.99
Rot. Bonds2

About 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine

2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine (PubChem CID 63051342) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
PubChem CID63051342
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H14F3N/c1-11(2,3)15-6-7-4-8(12)10(14)9(13)5-7/h4-5,15H,6H2,1-3H3
InChIKeyWXKZYADFNJAAQI-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63060715
2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 63050676
4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline
CID 63060506
2-cyclopropyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 103700221
4-[(tert-butylamino)methyl]-2,6-difluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 63551898
2-[4-[(tert-butylamino)methyl]-2,6-difluorophenyl]sulfanylethanol
CID 55238305
N-[(3,5-difluoro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 79883668
N-[(3,4,5-trifluorophenyl)methyl]thiohydroxylamine
CID 155699615
4-[(tert-butylamino)methyl]-2,6-difluoro-N-methyl-N-(3-methylbutyl)aniline
CID 63551167
N-[[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]methyl]-2-methylpropan-2-amine
CID 79892271
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[(3,5-difluoro-4-pent-3-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104805339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine (CID 63051342) is 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine is CC(C)(C)NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The InChIKey is WXKZYADFNJAAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-11(2,3)15-6-7-4-8(12)10(14)9(13)5-7/h4-5,15H,6H2,1-3H3.
What are the key properties of 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 63051342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).