6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine

C14H16ClN3 — CID 61412034

IUPAC6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
SMILESCc1ccccc1CN(C)c1ccc(CCl)nn1
InChIInChI=1S/C14H16ClN3/c1-11-5-3-4-6-12(11)10-18(2)14-8-7-13(9-15)16-17-14/h3-8H,9-10H2,1-2H3
InChIKeyJXYOWJUXFBWFPS-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.16
Rot. Bonds4

About 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine

6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine (PubChem CID 61412034) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
PubChem CID61412034
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
SMILESCc1ccccc1CN(C)c1ccc(CCl)nn1
InChIInChI=1S/C14H16ClN3/c1-11-5-3-4-6-12(11)10-18(2)14-8-7-13(9-15)16-17-14/h3-8H,9-10H2,1-2H3
InChIKeyJXYOWJUXFBWFPS-UHFFFAOYSA-N
XLogP3.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 61417484
6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313290
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071
N-[[2-(aminomethyl)phenyl]methyl]-N,6-dimethylpyridazin-3-amine
CID 61313703
6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 61411567
2-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 62481777
[2-[methyl-[(2-methylphenyl)methyl]amino]-4-pyridinyl]methanol
CID 61411894
6-(chloromethyl)-N,N-diethylpyridazin-3-amine
CID 39203370
N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62294083
3-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 61411893
N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
CID 61255095
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255692

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine (CID 61412034) is 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine is Cc1ccccc1CN(C)c1ccc(CCl)nn1.
What is the InChIKey of 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine?
The InChIKey is JXYOWJUXFBWFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-11-5-3-4-6-12(11)10-18(2)14-8-7-13(9-15)16-17-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine?
6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine has a molecular weight of 261.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 61412034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).