N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride

C19H19Cl2NO — CID 17332170

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
SMILESCl.Clc1cccc(-c2ccc(CNCCc3ccccc3)o2)c1
InChIInChI=1S/C19H18ClNO.ClH/c20-17-8-4-7-16(13-17)19-10-9-18(22-19)14-21-12-11-15-5-2-1-3-6-15;/h1-10,13,21H,11-12,14H2;1H
InChIKeySSUHMUOBIPXQEB-UHFFFAOYSA-N
MW348.27 g/mol
LogP5.35
Rot. Bonds6

About N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride (PubChem CID 17332170) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
PubChem CID17332170
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
SMILESCl.Clc1cccc(-c2ccc(CNCCc3ccccc3)o2)c1
InChIInChI=1S/C19H18ClNO.ClH/c20-17-8-4-7-16(13-17)19-10-9-18(22-19)14-21-12-11-15-5-2-1-3-6-15;/h1-10,13,21H,11-12,14H2;1H
InChIKeySSUHMUOBIPXQEB-UHFFFAOYSA-N
XLogP5.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;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

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17332138
2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
CID 17156363
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659
1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17332172
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride (CID 17332170) is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride is Cl.Clc1cccc(-c2ccc(CNCCc3ccccc3)o2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride?
The InChIKey is SSUHMUOBIPXQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO.ClH/c20-17-8-4-7-16(13-17)19-10-9-18(22-19)14-21-12-11-15-5-2-1-3-6-15;/h1-10,13,21H,11-12,14H2;1H.
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride?
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride has a molecular weight of 348.27 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 17332170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).