N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine

C14H18F4N2 — CID 107454401

IUPACN-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1cc(CNC2CC2)ccc1F)CC(F)(F)F
InChIInChI=1S/C14H18F4N2/c1-20(9-14(16,17)18)8-11-6-10(2-5-13(11)15)7-19-12-3-4-12/h2,5-6,12,19H,3-4,7-9H2,1H3
InChIKeyGZNORIBPWXXWAG-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.07
Rot. Bonds6

About N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 107454401) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID107454401
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC NameN-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1cc(CNC2CC2)ccc1F)CC(F)(F)F
InChIInChI=1S/C14H18F4N2/c1-20(9-14(16,17)18)8-11-6-10(2-5-13(11)15)7-19-12-3-4-12/h2,5-6,12,19H,3-4,7-9H2,1H3
InChIKeyGZNORIBPWXXWAG-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454794
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454402
N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454747
N-[[4-fluoro-3-(3,3,3-trifluoropropoxymethyl)phenyl]methyl]cyclopropanamine
CID 107457912
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586
4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63051095
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454466
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
N-[[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 106316895

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 107454401) is N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine is CN(Cc1cc(CNC2CC2)ccc1F)CC(F)(F)F.
What is the InChIKey of N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is GZNORIBPWXXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-20(9-14(16,17)18)8-11-6-10(2-5-13(11)15)7-19-12-3-4-12/h2,5-6,12,19H,3-4,7-9H2,1H3.
What are the key properties of N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 290.30 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107454401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).