1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine

C12H11Cl2NO — CID 4723656

IUPAC1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3
InChIKeyKVRNDHJOFNNVSM-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.97
Rot. Bonds3

About 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine

1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 4723656) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine
PubChem CID4723656
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3
InChIKeyKVRNDHJOFNNVSM-UHFFFAOYSA-N
XLogP3.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine (CID 4723656) is 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine is CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is KVRNDHJOFNNVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3.
What are the key properties of 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine?
1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 256.13 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 4723656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).