1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine

C18H14Cl3NO — CID 4723648

IUPAC1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
SMILESClc1cc(Cl)cc(-c2ccc(CNCc3ccccc3Cl)o2)c1
InChIInChI=1S/C18H14Cl3NO/c19-14-7-13(8-15(20)9-14)18-6-5-16(23-18)11-22-10-12-3-1-2-4-17(12)21/h1-9,22H,10-11H2
InChIKeyLKUGMOGRQDTMPC-UHFFFAOYSA-N
MW366.68 g/mol
LogP6.20
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine

1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine (PubChem CID 4723648) has the molecular formula C18H14Cl3NO and a molecular weight of 366.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
PubChem CID4723648
Molecular FormulaC18H14Cl3NO
Molecular Weight366.68 g/mol
Exact Mass365.01
IUPAC Name1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
SMILESClc1cc(Cl)cc(-c2ccc(CNCc3ccccc3Cl)o2)c1
InChIInChI=1S/C18H14Cl3NO/c19-14-7-13(8-15(20)9-14)18-6-5-16(23-18)11-22-10-12-3-1-2-4-17(12)21/h1-9,22H,10-11H2
InChIKeyLKUGMOGRQDTMPC-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
3-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoic acid
CID 17212798
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
CID 4724267
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723665
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526053
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine (CID 4723648) is 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine is Clc1cc(Cl)cc(-c2ccc(CNCc3ccccc3Cl)o2)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine?
The InChIKey is LKUGMOGRQDTMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3NO/c19-14-7-13(8-15(20)9-14)18-6-5-16(23-18)11-22-10-12-3-1-2-4-17(12)21/h1-9,22H,10-11H2.
What are the key properties of 1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine?
1-(2-chlorophenyl)-N-[[5-(3,5-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-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine is sourced from PubChem (CID 4723648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).