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

C16H19ClFN3 — CID 114487359

IUPAC5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2cccc(Cl)c2F)cn1
InChIInChI=1S/C16H19ClFN3/c1-3-21(4-2)15-9-8-13(11-20-15)19-10-12-6-5-7-14(17)16(12)18/h5-9,11,19H,3-4,10H2,1-2H3
InChIKeyAPAHDSXNPVYSLV-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.33
Rot. Bonds6

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

5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine (PubChem CID 114487359) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
PubChem CID114487359
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2cccc(Cl)c2F)cn1
InChIInChI=1S/C16H19ClFN3/c1-3-21(4-2)15-9-8-13(11-20-15)19-10-12-6-5-7-14(17)16(12)18/h5-9,11,19H,3-4,10H2,1-2H3
InChIKeyAPAHDSXNPVYSLV-UHFFFAOYSA-N
XLogP4.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 115743043
4-butan-2-yl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487318
N-[(3-chloro-2-fluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 114487683
N-[(3-chloro-2-fluorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 115695866
2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697513
N-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115695848
N-[(3-chloro-2-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 115743587
N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 115743032
N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine
CID 112652175
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43697331

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine (CID 114487359) is 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine is CCN(CC)c1ccc(NCc2cccc(Cl)c2F)cn1.
What is the InChIKey of 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The InChIKey is APAHDSXNPVYSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-3-21(4-2)15-9-8-13(11-20-15)19-10-12-6-5-7-14(17)16(12)18/h5-9,11,19H,3-4,10H2,1-2H3.
What are the key properties of 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine has a molecular weight of 307.80 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine is sourced from PubChem (CID 114487359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).