N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine

C14H14ClN3O — CID 106833982

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESClc1cc2c(c(CNCc3cccnn3)c1)OCC2
InChIInChI=1S/C14H14ClN3O/c15-12-6-10-3-5-19-14(10)11(7-12)8-16-9-13-2-1-4-17-18-13/h1-2,4,6-7,16H,3,5,8-9H2
InChIKeyHVJZWPYWBDPPIR-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.35
Rot. Bonds4

About N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106833982) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106833982
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESClc1cc2c(c(CNCc3cccnn3)c1)OCC2
InChIInChI=1S/C14H14ClN3O/c15-12-6-10-3-5-19-14(10)11(7-12)8-16-9-13-2-1-4-17-18-13/h1-2,4,6-7,16H,3,5,8-9H2
InChIKeyHVJZWPYWBDPPIR-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 113381748
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673217
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 113381750
4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide
CID 75519974
2-(5-bromothiophen-2-yl)-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 106047182
6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106895378
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852664
2-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4,4-dimethylpentan-1-amine
CID 107155602
4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962419
4-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-iodoaniline
CID 107635365
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444356
3-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methoxybutan-1-amine
CID 106242783

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine (CID 106833982) is N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine is Clc1cc2c(c(CNCc3cccnn3)c1)OCC2.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is HVJZWPYWBDPPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-12-6-10-3-5-19-14(10)11(7-12)8-16-9-13-2-1-4-17-18-13/h1-2,4,6-7,16H,3,5,8-9H2.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 275.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106833982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).