N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine

C16H14ClN3 — CID 45486930

IUPACN-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine
SMILESClc1ccc(CCNc2nncc3ccccc23)cc1
InChIInChI=1S/C16H14ClN3/c17-14-7-5-12(6-8-14)9-10-18-16-15-4-2-1-3-13(15)11-19-20-16/h1-8,11H,9-10H2,(H,18,20)
InChIKeyFWPDOOLACMWIJC-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.94
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine

N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine (PubChem CID 45486930) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine
PubChem CID45486930
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine
SMILESClc1ccc(CCNc2nncc3ccccc23)cc1
InChIInChI=1S/C16H14ClN3/c17-14-7-5-12(6-8-14)9-10-18-16-15-4-2-1-3-13(15)11-19-20-16/h1-8,11H,9-10H2,(H,18,20)
InChIKeyFWPDOOLACMWIJC-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
CID 6416437
4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine
CID 1069155
1-Chloro-4-piperidin-1-yl-phthalazine
CID 768785
N-benzyl-4-(4-chlorophenyl)phthalazin-1-amine
CID 6405334
Benzaldehyde, (4-chloro-1-phthalazinyl)methylhydrazone
CID 9587956
1-(Piperazin-1-yl)phthalazine
CID 14581396
Allyl-(4-chloro-phthalazin-1-yl)-amine
CID 6411090
N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-4-chlorobenzo[g]phthalazin-1-amine
CID 46913318
N-(3-chlorophenyl)phthalazin-1-amine
CID 24986551
US10947241, Example 57
CID 134471428
US10947241, Example 46
CID 134471668
2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
CID 154873539

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine (CID 45486930) is N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine is Clc1ccc(CCNc2nncc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine?
The InChIKey is FWPDOOLACMWIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-14-7-5-12(6-8-14)9-10-18-16-15-4-2-1-3-13(15)11-19-20-16/h1-8,11H,9-10H2,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine?
N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine has a molecular weight of 283.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine is sourced from PubChem (CID 45486930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).