4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine

C17H16ClN3O — CID 87569694

IUPAC4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine
SMILESCOc1ccc(CNc2nnc(Cl)c3cc(C)ccc23)cc1
InChIInChI=1S/C17H16ClN3O/c1-11-3-8-14-15(9-11)16(18)20-21-17(14)19-10-12-4-6-13(22-2)7-5-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeySATUCLHEYRKFFQ-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.21
Rot. Bonds4

About 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine

4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine (PubChem CID 87569694) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine
PubChem CID87569694
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine
SMILESCOc1ccc(CNc2nnc(Cl)c3cc(C)ccc23)cc1
InChIInChI=1S/C17H16ClN3O/c1-11-3-8-14-15(9-11)16(18)20-21-17(14)19-10-12-4-6-13(22-2)7-5-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeySATUCLHEYRKFFQ-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-7-methylphthalazin-1-amine
CID 20646869
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyanophthalazin-1-amine
CID 20646843
N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine
CID 86612224
3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde
CID 121245197
N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine
CID 162720636
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509
4-N-[(4-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23494657

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine?
The IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine (CID 87569694) is 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine is COc1ccc(CNc2nnc(Cl)c3cc(C)ccc23)cc1.
What is the InChIKey of 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine?
The InChIKey is SATUCLHEYRKFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-3-8-14-15(9-11)16(18)20-21-17(14)19-10-12-4-6-13(22-2)7-5-12/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine?
4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine has a molecular weight of 313.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methoxyphenyl)methyl]-6-methylphthalazin-1-amine is sourced from PubChem (CID 87569694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).