N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride

C17H15Cl3N2O — CID 17332139

IUPACN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.Clc1cc(Cl)cc(-c2ccc(CNCc3ccncc3)o2)c1
InChIInChI=1S/C17H14Cl2N2O.ClH/c18-14-7-13(8-15(19)9-14)17-2-1-16(22-17)11-21-10-12-3-5-20-6-4-12;/h1-9,21H,10-11H2;1H
InChIKeyUJENOYOYJBEJBE-UHFFFAOYSA-N
MW369.68 g/mol
LogP5.36
Rot. Bonds5

About N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 17332139) has the molecular formula C17H15Cl3N2O and a molecular weight of 369.68 g/mol. Its IUPAC name is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
PubChem CID17332139
Molecular FormulaC17H15Cl3N2O
Molecular Weight369.68 g/mol
Exact Mass368.02
IUPAC NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.Clc1cc(Cl)cc(-c2ccc(CNCc3ccncc3)o2)c1
InChIInChI=1S/C17H14Cl2N2O.ClH/c18-14-7-13(8-15(19)9-14)17-2-1-16(22-17)11-21-10-12-3-5-20-6-4-12;/h1-9,21H,10-11H2;1H
InChIKeyUJENOYOYJBEJBE-UHFFFAOYSA-N
XLogP5.36
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.68
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332089
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
dimethyl 5-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 4724929
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723665
methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332875
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine
CID 17213116
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17332138
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526053

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride (CID 17332139) is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride is Cl.Clc1cc(Cl)cc(-c2ccc(CNCc3ccncc3)o2)c1.
What is the InChIKey of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is UJENOYOYJBEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O.ClH/c18-14-7-13(8-15(19)9-14)17-2-1-16(22-17)11-21-10-12-3-5-20-6-4-12;/h1-9,21H,10-11H2;1H.
What are the key properties of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 369.68 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 17332139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).