3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

C17H22FN3 — CID 114831111

IUPAC3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCN(Cc1cccnc1)C(C)(CN)Cc1ccccc1F
InChIInChI=1S/C17H22FN3/c1-17(13-19,10-15-7-3-4-8-16(15)18)21(2)12-14-6-5-9-20-11-14/h3-9,11H,10,12-13,19H2,1-2H3
InChIKeyRLLLOFAXWFWGAI-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.61
Rot. Bonds6

About 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (PubChem CID 114831111) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
PubChem CID114831111
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCN(Cc1cccnc1)C(C)(CN)Cc1ccccc1F
InChIInChI=1S/C17H22FN3/c1-17(13-19,10-15-7-3-4-8-16(15)18)21(2)12-14-6-5-9-20-11-14/h3-9,11H,10,12-13,19H2,1-2H3
InChIKeyRLLLOFAXWFWGAI-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 114831398
2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
CID 63470423
2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 114067675
[3-fluoro-2-[methyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 114067410
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 110877328
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 106532278

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (CID 114831111) is 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is CN(Cc1cccnc1)C(C)(CN)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The InChIKey is RLLLOFAXWFWGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-17(13-19,10-15-7-3-4-8-16(15)18)21(2)12-14-6-5-9-20-11-14/h3-9,11H,10,12-13,19H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine has a molecular weight of 287.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 114831111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).