3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C16H20FN3 — CID 43678675

IUPAC3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCC(Nc1cnccc1N(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-4-14(12-5-7-13(17)8-6-12)19-15-11-18-10-9-16(15)20(2)3/h5-11,14,19H,4H2,1-3H3
InChIKeyCONDOCJAFGJPET-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.85
Rot. Bonds5

About 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678675) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678675
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCC(Nc1cnccc1N(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-4-14(12-5-7-13(17)8-6-12)19-15-11-18-10-9-16(15)20(2)3/h5-11,14,19H,4H2,1-3H3
InChIKeyCONDOCJAFGJPET-UHFFFAOYSA-N
XLogP3.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678667
3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678466
2-[1-[[4-(dimethylamino)-3-pyridinyl]amino]propyl]phenol
CID 43678570
3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678568
methyl 2-[[4-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 115352484
N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 61051789
3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 113494502
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
CID 114051614
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678675) is 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CCC(Nc1cnccc1N(C)C)c1ccc(F)cc1.
What is the InChIKey of 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is CONDOCJAFGJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-14(12-5-7-13(17)8-6-12)19-15-11-18-10-9-16(15)20(2)3/h5-11,14,19H,4H2,1-3H3.
What are the key properties of 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 273.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).