N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine

C16H21N3 — CID 105145275

IUPACN-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccc(C)cc1C
InChIInChI=1S/C16H21N3/c1-4-8-17-16(14-7-9-18-19-11-14)15-6-5-12(2)10-13(15)3/h5-7,9-11,16-17H,4,8H2,1-3H3
InChIKeyGMLLGKDUUXGWLR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.18
Rot. Bonds5

About N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine

N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine (PubChem CID 105145275) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
PubChem CID105145275
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccc(C)cc1C
InChIInChI=1S/C16H21N3/c1-4-8-17-16(14-7-9-18-19-11-14)15-6-5-12(2)10-13(15)3/h5-7,9-11,16-17H,4,8H2,1-3H3
InChIKeyGMLLGKDUUXGWLR-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495535
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 43495516
N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105142994
N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105168364
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495490
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63418754
N-[(4-bromo-3-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 106764348
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine (CID 105145275) is N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine is CCCNC(c1ccnnc1)c1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The InChIKey is GMLLGKDUUXGWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-8-17-16(14-7-9-18-19-11-14)15-6-5-12(2)10-13(15)3/h5-7,9-11,16-17H,4,8H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 105145275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).