N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine

C19H16Cl2FNO — CID 4724330

IUPACN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H16Cl2FNO/c20-14-5-7-16(17(21)11-14)19-8-6-15(24-19)12-23-10-9-13-3-1-2-4-18(13)22/h1-8,11,23H,9-10,12H2
InChIKeySHAXNHHQOBLLPJ-UHFFFAOYSA-N
MW364.25 g/mol
LogP5.72
Rot. Bonds6

About N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 4724330) has the molecular formula C19H16Cl2FNO and a molecular weight of 364.25 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID4724330
Molecular FormulaC19H16Cl2FNO
Molecular Weight364.25 g/mol
Exact Mass363.06
IUPAC NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H16Cl2FNO/c20-14-5-7-16(17(21)11-14)19-8-6-15(24-19)12-23-10-9-13-3-1-2-4-18(13)22/h1-8,11,23H,9-10,12H2
InChIKeySHAXNHHQOBLLPJ-UHFFFAOYSA-N
XLogP5.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.25
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209848
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213
5-[[2-(2-chlorophenyl)ethylamino]methyl]-N-[2-(2-fluorophenyl)ethyl]furan-2-carboxamide
CID 59993945

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine (CID 4724330) is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is SHAXNHHQOBLLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FNO/c20-14-5-7-16(17(21)11-14)19-8-6-15(24-19)12-23-10-9-13-3-1-2-4-18(13)22/h1-8,11,23H,9-10,12H2.
What are the key properties of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine?
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 364.25 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 4724330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).