N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine

C17H29FN2O — CID 107454507

IUPACN-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1cc(CNC(C)(C)C)ccc1F
InChIInChI=1S/C17H29FN2O/c1-13(12-21-6)20(5)11-15-9-14(7-8-16(15)18)10-19-17(2,3)4/h7-9,13,19H,10-12H2,1-6H3
InChIKeyNFNYVNWLQLRGFS-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.18
Rot. Bonds7

About N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107454507) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107454507
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC NameN-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1cc(CNC(C)(C)C)ccc1F
InChIInChI=1S/C17H29FN2O/c1-13(12-21-6)20(5)11-15-9-14(7-8-16(15)18)10-19-17(2,3)4/h7-9,13,19H,10-12H2,1-6H3
InChIKeyNFNYVNWLQLRGFS-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454402
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 107454052
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454466
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
2-[[5-[(tert-butylamino)methyl]-2-fluorophenyl]methyl-prop-2-enylamino]ethanol
CID 107455662
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55074027
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111829266
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 64769908
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 107454507) is N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine is COCC(C)N(C)Cc1cc(CNC(C)(C)C)ccc1F.
What is the InChIKey of N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NFNYVNWLQLRGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-13(12-21-6)20(5)11-15-9-14(7-8-16(15)18)10-19-17(2,3)4/h7-9,13,19H,10-12H2,1-6H3.
What are the key properties of N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107454507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).