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

C14H12ClN3S — CID 55040840

IUPAC4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
SMILESCN(Cc1cccs1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H12ClN3S/c1-18(9-10-5-4-8-19-10)14-12-7-3-2-6-11(12)13(15)16-17-14/h2-8H,9H2,1H3
InChIKeyDZUZJHIKUSUSCM-UHFFFAOYSA-N
MW289.79 g/mol
LogP3.98
Rot. Bonds3

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

4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine (PubChem CID 55040840) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
PubChem CID55040840
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
SMILESCN(Cc1cccs1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H12ClN3S/c1-18(9-10-5-4-8-19-10)14-12-7-3-2-6-11(12)13(15)16-17-14/h2-8H,9H2,1H3
InChIKeyDZUZJHIKUSUSCM-UHFFFAOYSA-N
XLogP3.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
CID 79487719
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
CID 62141923
1-chloro-4-(thiophen-2-ylmethoxy)phthalazine
CID 55041274
6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729773
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982
3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55054537
5,6-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 80509194
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791
3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 106876592
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
4-chloro-N-methyl-N-pentan-2-ylphthalazin-1-amine
CID 62141729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine (CID 55040840) is 4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine is CN(Cc1cccs1)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine?
The InChIKey is DZUZJHIKUSUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-18(9-10-5-4-8-19-10)14-12-7-3-2-6-11(12)13(15)16-17-14/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine?
4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine has a molecular weight of 289.79 g/mol, XLogP of 3.98, 3 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-(thiophen-2-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 55040840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).