N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine

C15H11BrClN3 — CID 62141748

IUPACN-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine
SMILESClc1nnc(NCc2cccc(Br)c2)c2ccccc12
InChIInChI=1S/C15H11BrClN3/c16-11-5-3-4-10(8-11)9-18-15-13-7-2-1-6-12(13)14(17)19-20-15/h1-8H,9H2,(H,18,20)
InChIKeyHECWXHNJLAXSGN-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.66
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine

N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine (PubChem CID 62141748) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine
PubChem CID62141748
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC NameN-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine
SMILESClc1nnc(NCc2cccc(Br)c2)c2ccccc12
InChIInChI=1S/C15H11BrClN3/c16-11-5-3-4-10(8-11)9-18-15-13-7-2-1-6-12(13)14(17)19-20-15/h1-8H,9H2,(H,18,20)
InChIKeyHECWXHNJLAXSGN-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine
CID 106194292
4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 60723090
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
CID 62141752
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine
CID 63549412
4-chloro-N-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 114111931
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine (CID 62141748) is N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine is Clc1nnc(NCc2cccc(Br)c2)c2ccccc12.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine?
The InChIKey is HECWXHNJLAXSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-11-5-3-4-10(8-11)9-18-15-13-7-2-1-6-12(13)14(17)19-20-15/h1-8H,9H2,(H,18,20).
What are the key properties of N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine?
N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine has a molecular weight of 348.63 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine is sourced from PubChem (CID 62141748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).