N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride

C18H18Cl2N2O — CID 6473435

IUPACN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCc1c(Cl)cccc1-c1ccc(CNCc2ccccn2)o1.Cl
InChIInChI=1S/C18H17ClN2O.ClH/c1-13-16(6-4-7-17(13)19)18-9-8-15(22-18)12-20-11-14-5-2-3-10-21-14;/h2-10,20H,11-12H2,1H3;1H
InChIKeyUWPDYPCDUNXXOU-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.02
Rot. Bonds5

About N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride

N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride (PubChem CID 6473435) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
PubChem CID6473435
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC NameN-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCc1c(Cl)cccc1-c1ccc(CNCc2ccccn2)o1.Cl
InChIInChI=1S/C18H17ClN2O.ClH/c1-13-16(6-4-7-17(13)19)18-9-8-15(22-18)12-20-11-14-5-2-3-10-21-14;/h2-10,20H,11-12H2,1H3;1H
InChIKeyUWPDYPCDUNXXOU-UHFFFAOYSA-N
XLogP5.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-Fluoro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6464045
5-(4-chlorophenyl)-N-(pyridin-3-yl)furan-2-carboxamide
CID 780278
[5-(4-Bromo-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6462633
[5-(4-Chloro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6462907
5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 800465
2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 45110413
5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 1071266
N-(2-[5-(2,5-dichlorophenyl)-2-furyl]-1-{[(3-pyridinylmethyl)amino]carbonyl}vinyl)-4-methylbenzamide
CID 1906006
5-(2,5-dichlorophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2885301
1-(2-Chlorophenyl)-3-(furan-2-ylmethylamino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate
CID 4599991
N-[[5-(3,5-Dichlorophenyl)-2-furanyl]methyl]-1H-indole-3-ethanamine
CID 4723679
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 4725280

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride (CID 6473435) is N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride is Cc1c(Cl)cccc1-c1ccc(CNCc2ccccn2)o1.Cl.
What is the InChIKey of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The InChIKey is UWPDYPCDUNXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O.ClH/c1-13-16(6-4-7-17(13)19)18-9-8-15(22-18)12-20-11-14-5-2-3-10-21-14;/h2-10,20H,11-12H2,1H3;1H.
What are the key properties of N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 6473435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).