6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine

C14H15FN2O — CID 103825772

IUPAC6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
SMILESCOCc1ccc(CNc2ccc(F)nc2)cc1
InChIInChI=1S/C14H15FN2O/c1-18-10-12-4-2-11(3-5-12)8-16-13-6-7-14(15)17-9-13/h2-7,9,16H,8,10H2,1H3
InChIKeyDGXWRHTXOYMTMI-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.98
Rot. Bonds5

About 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine

6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine (PubChem CID 103825772) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
PubChem CID103825772
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
SMILESCOCc1ccc(CNc2ccc(F)nc2)cc1
InChIInChI=1S/C14H15FN2O/c1-18-10-12-4-2-11(3-5-12)8-16-13-6-7-14(15)17-9-13/h2-7,9,16H,8,10H2,1H3
InChIKeyDGXWRHTXOYMTMI-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 103825810
N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840
3-bromo-4-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 115909494
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605
N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine
CID 103934256
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 104937745
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine (CID 103825772) is 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine is COCc1ccc(CNc2ccc(F)nc2)cc1.
What is the InChIKey of 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine?
The InChIKey is DGXWRHTXOYMTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-10-12-4-2-11(3-5-12)8-16-13-6-7-14(15)17-9-13/h2-7,9,16H,8,10H2,1H3.
What are the key properties of 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine?
6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine has a molecular weight of 246.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 103825772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).