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

C18H15Cl4NO — CID 17332799

IUPAC1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
SMILESCl.Clc1ccc(-c2ccc(CNCc3ccccc3Cl)o2)c(Cl)c1
InChIInChI=1S/C18H14Cl3NO.ClH/c19-13-5-7-15(17(21)9-13)18-8-6-14(23-18)11-22-10-12-3-1-2-4-16(12)20;/h1-9,22H,10-11H2;1H
InChIKeyHNWLJVLYLSFZSI-UHFFFAOYSA-N
MW403.14 g/mol
LogP6.62
Rot. Bonds5

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

1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride (PubChem CID 17332799) has the molecular formula C18H15Cl4NO and a molecular weight of 403.14 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
PubChem CID17332799
Molecular FormulaC18H15Cl4NO
Molecular Weight403.14 g/mol
Exact Mass400.99
IUPAC Name1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
SMILESCl.Clc1ccc(-c2ccc(CNCc3ccccc3Cl)o2)c(Cl)c1
InChIInChI=1S/C18H14Cl3NO.ClH/c19-13-5-7-15(17(21)9-13)18-8-6-14(23-18)11-22-10-12-3-1-2-4-16(12)20;/h1-9,22H,10-11H2;1H
InChIKeyHNWLJVLYLSFZSI-UHFFFAOYSA-N
XLogP6.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.14
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209848
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208318

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride (CID 17332799) is 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride is Cl.Clc1ccc(-c2ccc(CNCc3ccccc3Cl)o2)c(Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride?
The InChIKey is HNWLJVLYLSFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3NO.ClH/c19-13-5-7-15(17(21)9-13)18-8-6-14(23-18)11-22-10-12-3-1-2-4-16(12)20;/h1-9,22H,10-11H2;1H.
What are the key properties of 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride?
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride has a molecular weight of 403.14 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 17332799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).