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

C15H22F4N2 — CID 107454402

IUPACN-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1cc(CNC(C)(C)C)ccc1F)CC(F)(F)F
InChIInChI=1S/C15H22F4N2/c1-14(2,3)20-8-11-5-6-13(16)12(7-11)9-21(4)10-15(17,18)19/h5-7,20H,8-10H2,1-4H3
InChIKeyFBSGXLAWHBXERT-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.71
Rot. Bonds5

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

N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107454402) has the molecular formula C15H22F4N2 and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107454402
Molecular FormulaC15H22F4N2
Molecular Weight306.35 g/mol
Exact Mass306.17
IUPAC NameN-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1cc(CNC(C)(C)C)ccc1F)CC(F)(F)F
InChIInChI=1S/C15H22F4N2/c1-14(2,3)20-8-11-5-6-13(16)12(7-11)9-21(4)10-15(17,18)19/h5-7,20H,8-10H2,1-4H3
InChIKeyFBSGXLAWHBXERT-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454401
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058994
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 107454799
N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454507
N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454794
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406
2-[[5-[(tert-butylamino)methyl]-2-fluorophenyl]methyl-prop-2-enylamino]ethanol
CID 107455662
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107454440
N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 107454016
N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102771946
1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 107454369

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 107454402) is N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine is CN(Cc1cc(CNC(C)(C)C)ccc1F)CC(F)(F)F.
What is the InChIKey of N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FBSGXLAWHBXERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4N2/c1-14(2,3)20-8-11-5-6-13(16)12(7-11)9-21(4)10-15(17,18)19/h5-7,20H,8-10H2,1-4H3.
What are the key properties of N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 306.35 g/mol, XLogP of 3.71, 5 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]-2-methylpropan-2-amine is sourced from PubChem (CID 107454402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).