N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine

C15H17F4N — CID 103838628

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESFc1cc(CNCC2(C3CC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F4N/c16-13-6-10(5-12(7-13)15(17,18)19)8-20-9-14(3-4-14)11-1-2-11/h5-7,11,20H,1-4,8-9H2
InChIKeyXHHUMFGEEONHIM-UHFFFAOYSA-N
MW287.30 g/mol
LogP4.12
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 103838628) has the molecular formula C15H17F4N and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
PubChem CID103838628
Molecular FormulaC15H17F4N
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESFc1cc(CNCC2(C3CC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H17F4N/c16-13-6-10(5-12(7-13)15(17,18)19)8-20-9-14(3-4-14)11-1-2-11/h5-7,11,20H,1-4,8-9H2
InChIKeyXHHUMFGEEONHIM-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282828
N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine
CID 114095565
2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282883
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
CID 103845476
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclopentyl]methanol
CID 115282901
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115282910
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115350673
3-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115748160
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
CID 103992458
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine (CID 103838628) is N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine is Fc1cc(CNCC2(C3CC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XHHUMFGEEONHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N/c16-13-6-10(5-12(7-13)15(17,18)19)8-20-9-14(3-4-14)11-1-2-11/h5-7,11,20H,1-4,8-9H2.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 287.30 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103838628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).