N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine

C17H18N4 — CID 60922847

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine
SMILESCN(Cc1ccccc1CN)c1nncc2ccccc12
InChIInChI=1S/C17H18N4/c1-21(12-15-8-3-2-6-13(15)10-18)17-16-9-5-4-7-14(16)11-19-20-17/h2-9,11H,10,12,18H2,1H3
InChIKeyFVXXCFKFEORFJC-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.72
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine (PubChem CID 60922847) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine
PubChem CID60922847
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine
SMILESCN(Cc1ccccc1CN)c1nncc2ccccc12
InChIInChI=1S/C17H18N4/c1-21(12-15-8-3-2-6-13(15)10-18)17-16-9-5-4-7-14(16)11-19-20-17/h2-9,11H,10,12,18H2,1H3
InChIKeyFVXXCFKFEORFJC-UHFFFAOYSA-N
XLogP2.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-phthalazin-1-ylpropane-1,3-diamine
CID 54991707
3-N-methyl-3-N-phthalazin-1-ylbutane-1,3-diamine
CID 63225812
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylpyrazin-2-amine
CID 83063231
N'-butyl-N'-phthalazin-1-ylethane-1,2-diamine
CID 62586186
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 80507438
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-benzotriazin-3-amine
CID 103203879
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N-[[2-(aminomethyl)phenyl]methyl]-N,6-dimethylpyridazin-3-amine
CID 61313703
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridin-2-amine
CID 60921940
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
2-[methyl(phthalazin-1-yl)amino]-1-piperazin-1-ylethanone
CID 61017532
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972734

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine (CID 60922847) is N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine is CN(Cc1ccccc1CN)c1nncc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine?
The InChIKey is FVXXCFKFEORFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-21(12-15-8-3-2-6-13(15)10-18)17-16-9-5-4-7-14(16)11-19-20-17/h2-9,11H,10,12,18H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine has a molecular weight of 278.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methylphthalazin-1-amine is sourced from PubChem (CID 60922847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).