N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride

C17H16BrClN2O — CID 6462633

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESBrc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1.Cl
InChIInChI=1S/C17H15BrN2O.ClH/c18-14-6-4-13(5-7-14)17-9-8-16(21-17)12-19-11-15-3-1-2-10-20-15;/h1-10,19H,11-12H2;1H
InChIKeyIUZAYJDFHJDYKG-UHFFFAOYSA-N
MW379.69 g/mol
LogP4.82
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride (PubChem CID 6462633) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
PubChem CID6462633
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESBrc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1.Cl
InChIInChI=1S/C17H15BrN2O.ClH/c18-14-6-4-13(5-7-14)17-9-8-16(21-17)12-19-11-15-3-1-2-10-20-15;/h1-10,19H,11-12H2;1H
InChIKeyIUZAYJDFHJDYKG-UHFFFAOYSA-N
XLogP4.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyl(5-(pyridin-3-YL)furan-2-YL)methanamine
CID 11229234
[5-(4-Fluoro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6464045
N-[1-[(4-bromoanilino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyridinecarboxamide
CID 1282817
[5-(4-Chloro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6462907
6-[5-(4-Carbamimidoylphenyl)-2-furyl]pyridine-3-carboxamidine
CID 9817976
6-[5-[(4-Carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide
CID 10022614
(4,5-Dibromofuran-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 42606460
3-Bromo-N-{1-[(furan-2-ylmethyl)-carbamoyl]-2-pyridin-3-yl-vinyl}-benzamide
CID 5347309
1-(5-(3-chloro-2-methylphenyl)furan-2-yl)-N-(pyridin-2-ylmethyl)methanamine hydrochloride
CID 6473435
6-[5-(3-Carbamimidoylphenyl)furan-2-yl]pyridine-3-carboximidamide
CID 10946678
N-(3-pyridylmethyl){5-[3-(trifluoromethyl)phenyl]-2-furyl}methanamine
CID 16044337
[5-(3-Chloro-4-fluoro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 17333109

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride (CID 6462633) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride is Brc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1.Cl.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The InChIKey is IUZAYJDFHJDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O.ClH/c18-14-6-4-13(5-7-14)17-9-8-16(21-17)12-19-11-15-3-1-2-10-20-15;/h1-10,19H,11-12H2;1H.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride has a molecular weight of 379.69 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 6462633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).