N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride

C19H18Cl2FNO — CID 17056556

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H17ClFNO.ClH/c20-18-4-2-1-3-17(18)19-10-9-16(23-19)13-22-12-11-14-5-7-15(21)8-6-14;/h1-10,22H,11-13H2;1H
InChIKeyVRBPERKWFPKOGC-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.49
Rot. Bonds6

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride (PubChem CID 17056556) has the molecular formula C19H18Cl2FNO and a molecular weight of 366.26 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
PubChem CID17056556
Molecular FormulaC19H18Cl2FNO
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
SMILESCl.Fc1ccc(CCNCc2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H17ClFNO.ClH/c20-18-4-2-1-3-17(18)19-10-9-16(23-19)13-22-12-11-14-5-7-15(21)8-6-14;/h1-10,22H,11-13H2;1H
InChIKeyVRBPERKWFPKOGC-UHFFFAOYSA-N
XLogP5.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210309
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17332038
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 119123052
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
CID 17211422
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride (CID 17056556) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride is Cl.Fc1ccc(CCNCc2ccc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
The InChIKey is VRBPERKWFPKOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO.ClH/c20-18-4-2-1-3-17(18)19-10-9-16(23-19)13-22-12-11-14-5-7-15(21)8-6-14;/h1-10,22H,11-13H2;1H.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride has a molecular weight of 366.26 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 17056556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).