N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine

C17H18N4 — CID 60877425

IUPACN-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
SMILESCc1nnc(N(C)Cc2cccc(N)c2)c2ccccc12
InChIInChI=1S/C17H18N4/c1-12-15-8-3-4-9-16(15)17(20-19-12)21(2)11-13-6-5-7-14(18)10-13/h3-10H,11,18H2,1-2H3
InChIKeySYXAJYJMJMFFDA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.16
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine

N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine (PubChem CID 60877425) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
PubChem CID60877425
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
SMILESCc1nnc(N(C)Cc2cccc(N)c2)c2ccccc12
InChIInChI=1S/C17H18N4/c1-12-15-8-3-4-9-16(15)17(20-19-12)21(2)11-13-6-5-7-14(18)10-13/h3-10H,11,18H2,1-2H3
InChIKeySYXAJYJMJMFFDA-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60875525
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 171327483
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
CID 62141752
N-benzyl-N-methyl-4-(2,4,6-trimethylphenyl)phthalazin-1-amine
CID 58326538
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine
CID 115211873
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 60877421
N'-ethyl-N'-(4-methylphthalazin-1-yl)ethane-1,2-diamine
CID 63765499
N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
CID 61253794
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine (CID 60877425) is N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine is Cc1nnc(N(C)Cc2cccc(N)c2)c2ccccc12.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine?
The InChIKey is SYXAJYJMJMFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-15-8-3-4-9-16(15)17(20-19-12)21(2)11-13-6-5-7-14(18)10-13/h3-10H,11,18H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine?
N-[(3-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-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine is sourced from PubChem (CID 60877425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).