2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol

C24H22ClN3O — CID 110183908

IUPAC2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol
SMILESCC(Nc1nnc(Cc2ccc(Cl)cc2)c2ccccc12)C(O)c1ccccc1
InChIInChI=1S/C24H22ClN3O/c1-16(23(29)18-7-3-2-4-8-18)26-24-21-10-6-5-9-20(21)22(27-28-24)15-17-11-13-19(25)14-12-17/h2-14,16,23,29H,15H2,1H3,(H,26,28)
InChIKeySCPLGLHTMHGWSS-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.41
Rot. Bonds6

About 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol

2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol (PubChem CID 110183908) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol
PubChem CID110183908
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol
SMILESCC(Nc1nnc(Cc2ccc(Cl)cc2)c2ccccc12)C(O)c1ccccc1
InChIInChI=1S/C24H22ClN3O/c1-16(23(29)18-7-3-2-4-8-18)26-24-21-10-6-5-9-20(21)22(27-28-24)15-17-11-13-19(25)14-12-17/h2-14,16,23,29H,15H2,1H3,(H,26,28)
InChIKeySCPLGLHTMHGWSS-UHFFFAOYSA-N
XLogP5.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
CID 159919598
4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142134
azanium;N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;pentanedioic acid
CID 15604672
1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine
CID 6412969
N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane
CID 91595451
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(1R,2R,3S)-3-[(4-chlorophenyl)methylamino]-2-methyl-1,3-diphenylpropan-1-ol
CID 13496223
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
4-chloro-N-(1-phenylpropyl)phthalazin-1-amine
CID 62305245
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol (CID 110183908) is 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol is CC(Nc1nnc(Cc2ccc(Cl)cc2)c2ccccc12)C(O)c1ccccc1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol?
The InChIKey is SCPLGLHTMHGWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-16(23(29)18-7-3-2-4-8-18)26-24-21-10-6-5-9-20(21)22(27-28-24)15-17-11-13-19(25)14-12-17/h2-14,16,23,29H,15H2,1H3,(H,26,28).
What are the key properties of 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol?
2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol has a molecular weight of 403.91 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 110183908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).