3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C15H17F2N3 — CID 43678568

IUPAC3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCC(Nc1cnccc1N(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2N3/c1-10(11-4-5-12(16)13(17)8-11)19-14-9-18-7-6-15(14)20(2)3/h4-10,19H,1-3H3
InChIKeySOEVRRPTLDNQLO-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.60
Rot. Bonds4

About 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678568) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678568
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCC(Nc1cnccc1N(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2N3/c1-10(11-4-5-12(16)13(17)8-11)19-14-9-18-7-6-15(14)20(2)3/h4-10,19H,1-3H3
InChIKeySOEVRRPTLDNQLO-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
CID 43678633
3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678675
3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678667
4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine
CID 64828589
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 83069930
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678639
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 175846199
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 113494502

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678568) is 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CC(Nc1cnccc1N(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is SOEVRRPTLDNQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-10(11-4-5-12(16)13(17)8-11)19-14-9-18-7-6-15(14)20(2)3/h4-10,19H,1-3H3.
What are the key properties of 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 277.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(3,4-difluorophenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).