1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine

C15H16FN3 — CID 106895187

IUPAC1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESFc1ccc(C(NCc2cccnn2)C2CC2)cc1
InChIInChI=1S/C15H16FN3/c16-13-7-5-12(6-8-13)15(11-3-4-11)17-10-14-2-1-9-18-19-14/h1-2,5-9,11,15,17H,3-4,10H2
InChIKeyCJFCGCFTEMKZQL-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.86
Rot. Bonds5

About 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine

1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine (PubChem CID 106895187) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine
PubChem CID106895187
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine
SMILESFc1ccc(C(NCc2cccnn2)C2CC2)cc1
InChIInChI=1S/C15H16FN3/c16-13-7-5-12(6-8-13)15(11-3-4-11)17-10-14-2-1-9-18-19-14/h1-2,5-9,11,15,17H,3-4,10H2
InChIKeyCJFCGCFTEMKZQL-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
1-cyclobutyl-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106895211
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 71931133
1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 80707743
1,1-diphenyl-N-(pyridazin-3-ylmethyl)methanamine
CID 106895014
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570678
1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 119122066
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine (CID 106895187) is 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine is Fc1ccc(C(NCc2cccnn2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine?
The InChIKey is CJFCGCFTEMKZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c16-13-7-5-12(6-8-13)15(11-3-4-11)17-10-14-2-1-9-18-19-14/h1-2,5-9,11,15,17H,3-4,10H2.
What are the key properties of 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine?
1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine has a molecular weight of 257.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine is sourced from PubChem (CID 106895187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).