N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine

C17H18N4 — CID 60875525

IUPACN-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
SMILESCc1nnc(N(C)Cc2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C17H18N4/c1-12-15-5-3-4-6-16(15)17(20-19-12)21(2)11-13-7-9-14(18)10-8-13/h3-10H,11,18H2,1-2H3
InChIKeyGVINPLDUGAHWPV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.16
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine

N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine (PubChem CID 60875525) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
PubChem CID60875525
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
SMILESCc1nnc(N(C)Cc2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C17H18N4/c1-12-15-5-3-4-6-16(15)17(20-19-12)21(2)11-13-7-9-14(18)10-8-13/h3-10H,11,18H2,1-2H3
InChIKeyGVINPLDUGAHWPV-UHFFFAOYSA-N
XLogP3.16
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425
N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 171327483
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
CID 58326538
N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine
CID 63229274
ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate
CID 62005398
4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 61098823
N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine
CID 63765499
N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine
CID 63266342
N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732904
N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine
CID 60875520
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine (CID 60875525) is N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine is Cc1nnc(N(C)Cc2ccc(N)cc2)c2ccccc12.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine?
The InChIKey is GVINPLDUGAHWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-15-5-3-4-6-16(15)17(20-19-12)21(2)11-13-7-9-14(18)10-8-13/h3-10H,11,18H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine?
N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine is sourced from PubChem (CID 60875525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).