3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline

C14H16FN3 — CID 114084177

IUPAC3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
SMILESCN(Cc1cncc(F)c1)c1cccc(CN)c1
InChIInChI=1S/C14H16FN3/c1-18(10-12-5-13(15)9-17-8-12)14-4-2-3-11(6-14)7-16/h2-6,8-9H,7,10,16H2,1H3
InChIKeyFGQLGPJFUXOLAG-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.32
Rot. Bonds4

About 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline

3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline (PubChem CID 114084177) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
PubChem CID114084177
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
SMILESCN(Cc1cncc(F)c1)c1cccc(CN)c1
InChIInChI=1S/C14H16FN3/c1-18(10-12-5-13(15)9-17-8-12)14-4-2-3-11(6-14)7-16/h2-6,8-9H,7,10,16H2,1H3
InChIKeyFGQLGPJFUXOLAG-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 106532278
(5-fluoro-3-pyridinyl)methanamine;hydrochloride
CID 84819354
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474
3-(aminomethyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylaniline
CID 62970661
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline (CID 114084177) is 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline is CN(Cc1cncc(F)c1)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline?
The InChIKey is FGQLGPJFUXOLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18(10-12-5-13(15)9-17-8-12)14-4-2-3-11(6-14)7-16/h2-6,8-9H,7,10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline?
3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline has a molecular weight of 245.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline is sourced from PubChem (CID 114084177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).