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

C18H14Cl3NO — CID 71611033

IUPAC1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
SMILESClc1ccc(CNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C18H14Cl3NO/c19-13-3-1-12(2-4-13)10-22-11-15-6-8-18(23-15)16-7-5-14(20)9-17(16)21/h1-9,22H,10-11H2
InChIKeyUXDJUUFIWYHJNJ-UHFFFAOYSA-N
MW366.68 g/mol
LogP6.20
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine (PubChem CID 71611033) has the molecular formula C18H14Cl3NO and a molecular weight of 366.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
PubChem CID71611033
Molecular FormulaC18H14Cl3NO
Molecular Weight366.68 g/mol
Exact Mass365.01
IUPAC Name1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
SMILESClc1ccc(CNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C18H14Cl3NO/c19-13-3-1-12(2-4-13)10-22-11-15-6-8-18(23-15)16-7-5-14(20)9-17(16)21/h1-9,22H,10-11H2
InChIKeyUXDJUUFIWYHJNJ-UHFFFAOYSA-N
XLogP6.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
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]octan-1-amine;hydrochloride
CID 17332919
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213
1-(1,3-benzodioxol-5-yl)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723563
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 2996307
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-3-ethylhex-5-en-1-amine
CID 134232523

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine (CID 71611033) is 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine is Clc1ccc(CNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine?
The InChIKey is UXDJUUFIWYHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3NO/c19-13-3-1-12(2-4-13)10-22-11-15-6-8-18(23-15)16-7-5-14(20)9-17(16)21/h1-9,22H,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine?
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine has a molecular weight of 366.68 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine is sourced from PubChem (CID 71611033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).