3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline

C15H18FN3 — CID 102814188

IUPAC3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CN(C)c2cc(F)cc(CN)c2)n1
InChIInChI=1S/C15H18FN3/c1-11-4-3-5-14(18-11)10-19(2)15-7-12(9-17)6-13(16)8-15/h3-8H,9-10,17H2,1-2H3
InChIKeyQMVOTDDZAIDZFC-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.62
Rot. Bonds4

About 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline

3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 102814188) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
PubChem CID102814188
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CN(C)c2cc(F)cc(CN)c2)n1
InChIInChI=1S/C15H18FN3/c1-11-4-3-5-14(18-11)10-19(2)15-7-12(9-17)6-13(16)8-15/h3-8H,9-10,17H2,1-2H3
InChIKeyQMVOTDDZAIDZFC-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 106532950
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489
3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115417200
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
CID 114084177
1-(3-chloro-5-fluorophenyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 114453496
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650
5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963296

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline (CID 102814188) is 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline is Cc1cccc(CN(C)c2cc(F)cc(CN)c2)n1.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is QMVOTDDZAIDZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11-4-3-5-14(18-11)10-19(2)15-7-12(9-17)6-13(16)8-15/h3-8H,9-10,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline?
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 259.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 102814188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).