4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine

C16H13ClFN3 — CID 62141923

IUPAC4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
SMILESCN(Cc1ccccc1F)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C16H13ClFN3/c1-21(10-11-6-2-5-9-14(11)18)16-13-8-4-3-7-12(13)15(17)19-20-16/h2-9H,10H2,1H3
InChIKeySFOWLNFISUQSEZ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.06
Rot. Bonds3

About 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine

4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine (PubChem CID 62141923) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
PubChem CID62141923
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
SMILESCN(Cc1ccccc1F)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C16H13ClFN3/c1-21(10-11-6-2-5-9-14(11)18)16-13-8-4-3-7-12(13)15(17)19-20-16/h2-9H,10H2,1H3
InChIKeySFOWLNFISUQSEZ-UHFFFAOYSA-N
XLogP4.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-N-methylphthalazin-1-amine
CID 62141193
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
CID 55040840
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
CID 62141752
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101190
3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102756516
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917464
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739336
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
CID 80510429
N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine?
The IUPAC name of 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine (CID 62141923) is 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine is CN(Cc1ccccc1F)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine?
The InChIKey is SFOWLNFISUQSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-21(10-11-6-2-5-9-14(11)18)16-13-8-4-3-7-12(13)15(17)19-20-16/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine?
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine has a molecular weight of 301.75 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine is sourced from PubChem (CID 62141923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).