[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine

C15H18FN3 — CID 62894998

IUPAC[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
SMILESCN(Cc1cccc(F)c1)Cc1cccnc1CN
InChIInChI=1S/C15H18FN3/c1-19(10-12-4-2-6-14(16)8-12)11-13-5-3-7-18-15(13)9-17/h2-8H,9-11,17H2,1H3
InChIKeyCPPVQTYITKYEFY-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.31
Rot. Bonds5

About [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine

[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine (PubChem CID 62894998) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
PubChem CID62894998
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
SMILESCN(Cc1cccc(F)c1)Cc1cccnc1CN
InChIInChI=1S/C15H18FN3/c1-19(10-12-4-2-6-14(16)8-12)11-13-5-3-7-18-15(13)9-17/h2-8H,9-11,17H2,1H3
InChIKeyCPPVQTYITKYEFY-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(3-bromophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62893469
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62895513
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine
CID 62895863
[3-bromo-4-[[(3-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102769331
[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248751
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 62465546
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
2-[[2-(aminomethyl)-3-pyridinyl]methyl-methylamino]-N,N-diethylacetamide
CID 62893303
2-amino-6-[[(3-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 104824281
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine (CID 62894998) is [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine is CN(Cc1cccc(F)c1)Cc1cccnc1CN.
What is the InChIKey of [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine?
The InChIKey is CPPVQTYITKYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19(10-12-4-2-6-14(16)8-12)11-13-5-3-7-18-15(13)9-17/h2-8H,9-11,17H2,1H3.
What are the key properties of [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine?
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine has a molecular weight of 259.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 62894998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).