N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H21FN2O — CID 115955206

IUPACN-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(F)c1OCc1ccncc1
InChIInChI=1S/C17H21FN2O/c1-17(2,3)20-11-14-5-4-6-15(18)16(14)21-12-13-7-9-19-10-8-13/h4-10,20H,11-12H2,1-3H3
InChIKeyWMIHKQOWFUKWNN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.69
Rot. Bonds5

About N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 115955206) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID115955206
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(F)c1OCc1ccncc1
InChIInChI=1S/C17H21FN2O/c1-17(2,3)20-11-14-5-4-6-15(18)16(14)21-12-13-7-9-19-10-8-13/h4-10,20H,11-12H2,1-3H3
InChIKeyWMIHKQOWFUKWNN-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955214
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
N-[[3-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115954724

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 115955206) is N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(F)c1OCc1ccncc1.
What is the InChIKey of N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WMIHKQOWFUKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-17(2,3)20-11-14-5-4-6-15(18)16(14)21-12-13-7-9-19-10-8-13/h4-10,20H,11-12H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115955206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).