N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine

C19H16Cl3NO — CID 17209837

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESClc1cccc(-c2ccc(CNCCc3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C19H16Cl3NO/c20-15-3-1-2-14(10-15)19-7-6-17(24-19)12-23-9-8-13-4-5-16(21)11-18(13)22/h1-7,10-11,23H,8-9,12H2
InChIKeyCXGDZXOOHIDSMM-UHFFFAOYSA-N
MW380.70 g/mol
LogP6.24
Rot. Bonds6

About N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 17209837) has the molecular formula C19H16Cl3NO and a molecular weight of 380.70 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
PubChem CID17209837
Molecular FormulaC19H16Cl3NO
Molecular Weight380.70 g/mol
Exact Mass379.03
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESClc1cccc(-c2ccc(CNCCc3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C19H16Cl3NO/c20-15-3-1-2-14(10-15)19-7-6-17(24-19)12-23-9-8-13-4-5-16(21)11-18(13)22/h1-7,10-11,23H,8-9,12H2
InChIKeyCXGDZXOOHIDSMM-UHFFFAOYSA-N
XLogP6.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.70
LogP ≤ 56.24
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

N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209848
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
CID 17156363
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
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
2-(2,4-dichlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 110651658

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine (CID 17209837) is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine is Clc1cccc(-c2ccc(CNCCc3ccc(Cl)cc3Cl)o2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is CXGDZXOOHIDSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3NO/c20-15-3-1-2-14(10-15)19-7-6-17(24-19)12-23-9-8-13-4-5-16(21)11-18(13)22/h1-7,10-11,23H,8-9,12H2.
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine has a molecular weight of 380.70 g/mol, XLogP of 6.24, 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-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 17209837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).