N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride

C18H15Cl3FNO — CID 17332038

IUPACN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
SMILESCl.Fc1ccc(CNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C18H14Cl2FNO.ClH/c19-13-3-7-17(20)16(9-13)18-8-6-15(23-18)11-22-10-12-1-4-14(21)5-2-12;/h1-9,22H,10-11H2;1H
InChIKeyVALFTDWXOLYSGN-UHFFFAOYSA-N
MW386.68 g/mol
LogP6.10
Rot. Bonds5

About N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride

N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride (PubChem CID 17332038) has the molecular formula C18H15Cl3FNO and a molecular weight of 386.68 g/mol. Its IUPAC name is N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
PubChem CID17332038
Molecular FormulaC18H15Cl3FNO
Molecular Weight386.68 g/mol
Exact Mass385.02
IUPAC NameN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
SMILESCl.Fc1ccc(CNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C18H14Cl2FNO.ClH/c19-13-3-7-17(20)16(9-13)18-8-6-15(23-18)11-22-10-12-1-4-14(21)5-2-12;/h1-9,22H,10-11H2;1H
InChIKeyVALFTDWXOLYSGN-UHFFFAOYSA-N
XLogP6.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
1-(1,3-benzodioxol-5-yl)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723563
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 2996307
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213
2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332050
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723564
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol
CID 17211736
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17333127
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The IUPAC name of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride (CID 17332038) is N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The canonical SMILES for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride is Cl.Fc1ccc(CNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1.
What is the InChIKey of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
The InChIKey is VALFTDWXOLYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FNO.ClH/c19-13-3-7-17(20)16(9-13)18-8-6-15(23-18)11-22-10-12-1-4-14(21)5-2-12;/h1-9,22H,10-11H2;1H.
What are the key properties of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride?
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride has a molecular weight of 386.68 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 17332038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).