N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine

C16H14ClN3 — CID 6416437

IUPACN-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
SMILESCc1nnc(NCc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H14ClN3/c1-11-14-7-2-3-8-15(14)16(20-19-11)18-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYQKTYSRKOSXEDR-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.20
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine

N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine (PubChem CID 6416437) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
PubChem CID6416437
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
SMILESCc1nnc(NCc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H14ClN3/c1-11-14-7-2-3-8-15(14)16(20-19-11)18-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYQKTYSRKOSXEDR-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine (CID 6416437) is N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine is Cc1nnc(NCc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine?
The InChIKey is YQKTYSRKOSXEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-14-7-2-3-8-15(14)16(20-19-11)18-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine?
N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine has a molecular weight of 283.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine is sourced from PubChem (CID 6416437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).