1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine

C14H15FN2O — CID 107686491

IUPAC1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccncc2)c(F)c1
InChIInChI=1S/C14H15FN2O/c1-16-9-12-2-3-14(13(15)8-12)18-10-11-4-6-17-7-5-11/h2-8,16H,9-10H2,1H3
InChIKeySPKHRCHXXYZOOU-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.52
Rot. Bonds5

About 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 107686491) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID107686491
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccncc2)c(F)c1
InChIInChI=1S/C14H15FN2O/c1-16-9-12-2-3-14(13(15)8-12)18-10-11-4-6-17-7-5-11/h2-8,16H,9-10H2,1H3
InChIKeySPKHRCHXXYZOOU-UHFFFAOYSA-N
XLogP2.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686784
N-methyl-1-[4-nitro-3-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 62115688
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107686431
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine (CID 107686491) is 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccncc2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is SPKHRCHXXYZOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-16-9-12-2-3-14(13(15)8-12)18-10-11-4-6-17-7-5-11/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 246.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107686491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).