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

C16H13BrClN3 — CID 62141752

IUPACN-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
SMILESCN(Cc1cccc(Br)c1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C16H13BrClN3/c1-21(10-11-5-4-6-12(17)9-11)16-14-8-3-2-7-13(14)15(18)19-20-16/h2-9H,10H2,1H3
InChIKeyLBGIFLXKALAPGD-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.68
Rot. Bonds3

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

N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine (PubChem CID 62141752) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
PubChem CID62141752
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC NameN-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
SMILESCN(Cc1cccc(Br)c1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C16H13BrClN3/c1-21(10-11-5-4-6-12(17)9-11)16-14-8-3-2-7-13(14)15(18)19-20-16/h2-9H,10H2,1H3
InChIKeyLBGIFLXKALAPGD-UHFFFAOYSA-N
XLogP4.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.68
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-(thiophen-2-ylmethyl)phthalazin-1-amine
CID 55040840
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
CID 62141923
N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine
CID 62141748
N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80979906
N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
CID 113228946
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
N-[(3-bromophenyl)methyl]-5-(chloromethyl)-N,2-dimethylpyrimidin-4-amine
CID 114215414
6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271583
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine (CID 62141752) is N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine is CN(Cc1cccc(Br)c1)c1nnc(Cl)c2ccccc12.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine?
The InChIKey is LBGIFLXKALAPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-21(10-11-5-4-6-12(17)9-11)16-14-8-3-2-7-13(14)15(18)19-20-16/h2-9H,10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine?
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine has a molecular weight of 362.66 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine is sourced from PubChem (CID 62141752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).