N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine

C13H15F4N — CID 162577330

IUPACN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCCc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H15F4N/c1-12(3-4-12)18-5-2-9-6-10(13(15,16)17)8-11(14)7-9/h6-8,18H,2-5H2,1H3
InChIKeyTWORTBYDTJVCNM-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.53
Rot. Bonds4

About N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine

N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine (PubChem CID 162577330) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine
PubChem CID162577330
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC NameN-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCCc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H15F4N/c1-12(3-4-12)18-5-2-9-6-10(13(15,16)17)8-11(14)7-9/h6-8,18H,2-5H2,1H3
InChIKeyTWORTBYDTJVCNM-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
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2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 58568398
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol
CID 115282901
3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
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CID 83306725
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780785
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
CID 91657147
1-(2-azidoethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 151285096
1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282828
N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 103838628
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine (CID 162577330) is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine is CC1(NCCc2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine?
The InChIKey is TWORTBYDTJVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c1-12(3-4-12)18-5-2-9-6-10(13(15,16)17)8-11(14)7-9/h6-8,18H,2-5H2,1H3.
What are the key properties of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine?
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 162577330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).