4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine

C15H14ClN3S — CID 79487719

IUPAC4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
SMILESCN(CCc1cccs1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H14ClN3S/c1-19(9-8-11-5-4-10-20-11)15-13-7-3-2-6-12(13)14(16)17-18-15/h2-7,10H,8-9H2,1H3
InChIKeyXIMUSAREIWKNFC-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.02
Rot. Bonds4

About 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine

4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine (PubChem CID 79487719) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
PubChem CID79487719
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
SMILESCN(CCc1cccs1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H14ClN3S/c1-19(9-8-11-5-4-10-20-11)15-13-7-3-2-6-12(13)14(16)17-18-15/h2-7,10H,8-9H2,1H3
InChIKeyXIMUSAREIWKNFC-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
CID 55040840
N-butyl-4-chloro-N-methylphthalazin-1-amine
CID 62140980
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
CID 106768318
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
CID 79489158
4-chloro-2-methyl-6-[methyl(2-thiophen-2-ylethyl)amino]pyrimidine-5-carbaldehyde
CID 80731639
4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 79470373
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
CID 62141752
1-chloro-4-(thiophen-2-ylmethoxy)phthalazine
CID 55041274
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80849972
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine (CID 79487719) is 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine is CN(CCc1cccs1)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine?
The InChIKey is XIMUSAREIWKNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-19(9-8-11-5-4-10-20-11)15-13-7-3-2-6-12(13)14(16)17-18-15/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine?
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine has a molecular weight of 303.82 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine is sourced from PubChem (CID 79487719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).