5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine

C16H19BrFN3 — CID 81432293

IUPAC5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C16H19BrFN3/c1-3-21(4-2)16-8-6-13(11-20-16)19-10-12-5-7-14(17)15(18)9-12/h5-9,11,19H,3-4,10H2,1-2H3
InChIKeyKVEWFBMNSFAJTI-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.44
Rot. Bonds6

About 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine

5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine (PubChem CID 81432293) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
PubChem CID81432293
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C16H19BrFN3/c1-3-21(4-2)16-8-6-13(11-20-16)19-10-12-5-7-14(17)15(18)9-12/h5-9,11,19H,3-4,10H2,1-2H3
InChIKeyKVEWFBMNSFAJTI-UHFFFAOYSA-N
XLogP4.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43697331
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine
CID 66407638
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 103823681
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine (CID 81432293) is 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine is CCN(CC)c1ccc(NCc2ccc(Br)c(F)c2)cn1.
What is the InChIKey of 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The InChIKey is KVEWFBMNSFAJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-3-21(4-2)16-8-6-13(11-20-16)19-10-12-5-7-14(17)15(18)9-12/h5-9,11,19H,3-4,10H2,1-2H3.
What are the key properties of 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine has a molecular weight of 352.25 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine is sourced from PubChem (CID 81432293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).