4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine

C20H24ClN3O — CID 167041325

IUPAC4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine
SMILESClc1ccc(C2NNC(NCC3CCCCO3)c3ccccc32)cc1
InChIInChI=1S/C20H24ClN3O/c21-15-10-8-14(9-11-15)19-17-6-1-2-7-18(17)20(24-23-19)22-13-16-5-3-4-12-25-16/h1-2,6-11,16,19-20,22-24H,3-5,12-13H2
InChIKeyYZCOYIVMYYMVOB-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.69
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine

4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine (PubChem CID 167041325) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine
PubChem CID167041325
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine
SMILESClc1ccc(C2NNC(NCC3CCCCO3)c3ccccc32)cc1
InChIInChI=1S/C20H24ClN3O/c21-15-10-8-14(9-11-15)19-17-6-1-2-7-18(17)20(24-23-19)22-13-16-5-3-4-12-25-16/h1-2,6-11,16,19-20,22-24H,3-5,12-13H2
InChIKeyYZCOYIVMYYMVOB-UHFFFAOYSA-N
XLogP3.69
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024858
7-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydrofuro[2,3-d]pyridazin-4-amine
CID 167041330
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydropyrido[3,4-d]pyridazin-1-amine
CID 167041315
N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine
CID 43344208
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014706
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
5-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300825
3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 55014186
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262470

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine (CID 167041325) is 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine is Clc1ccc(C2NNC(NCC3CCCCO3)c3ccccc32)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine?
The InChIKey is YZCOYIVMYYMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-15-10-8-14(9-11-15)19-17-6-1-2-7-18(17)20(24-23-19)22-13-16-5-3-4-12-25-16/h1-2,6-11,16,19-20,22-24H,3-5,12-13H2.
What are the key properties of 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine?
4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine has a molecular weight of 357.88 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine is sourced from PubChem (CID 167041325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).