4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine

C16H21ClN4 — CID 62994226

IUPAC4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
SMILESCC(CNc1nnc(Cl)c2ccccc12)CN1CCCC1
InChIInChI=1S/C16H21ClN4/c1-12(11-21-8-4-5-9-21)10-18-16-14-7-3-2-6-13(14)15(17)19-20-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyLBNHEVQVJVYUPA-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.43
Rot. Bonds5

About 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine

4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine (PubChem CID 62994226) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
PubChem CID62994226
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
SMILESCC(CNc1nnc(Cl)c2ccccc12)CN1CCCC1
InChIInChI=1S/C16H21ClN4/c1-12(11-21-8-4-5-9-21)10-18-16-14-7-3-2-6-13(14)15(17)19-20-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,20)
InChIKeyLBNHEVQVJVYUPA-UHFFFAOYSA-N
XLogP3.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
4-[(4-chlorophthalazin-1-yl)amino]-3-methylbutan-1-ol
CID 66108447
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538482
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine
CID 62993510
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204138
6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971664
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 62994227
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
2-methyl-3-[(4-methylphthalazin-1-yl)amino]propan-1-ol
CID 61362219
N-(2-methyl-3-pyrrolidin-1-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 62992310

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine (CID 62994226) is 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine is CC(CNc1nnc(Cl)c2ccccc12)CN1CCCC1.
What is the InChIKey of 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine?
The InChIKey is LBNHEVQVJVYUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-12(11-21-8-4-5-9-21)10-18-16-14-7-3-2-6-13(14)15(17)19-20-16/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine?
4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine has a molecular weight of 304.82 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine is sourced from PubChem (CID 62994226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).