N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline

C19H17Cl2NO — CID 56668954

IUPACN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H17Cl2NO/c1-12-4-3-5-13(2)19(12)22-11-15-7-9-18(23-15)16-10-14(20)6-8-17(16)21/h3-10,22H,11H2,1-2H3
InChIKeyCETWTOZRMPCTFO-UHFFFAOYSA-N
MW346.26 g/mol
LogP6.48
Rot. Bonds4

About N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline

N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline (PubChem CID 56668954) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline
PubChem CID56668954
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC NameN-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C19H17Cl2NO/c1-12-4-3-5-13(2)19(12)22-11-15-7-9-18(23-15)16-10-14(20)6-8-17(16)21/h3-10,22H,11H2,1-2H3
InChIKeyCETWTOZRMPCTFO-UHFFFAOYSA-N
XLogP6.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline?
The IUPAC name of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline (CID 56668954) is N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline?
The canonical SMILES for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline is Cc1cccc(C)c1NCc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline?
The InChIKey is CETWTOZRMPCTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-12-4-3-5-13(2)19(12)22-11-15-7-9-18(23-15)16-10-14(20)6-8-17(16)21/h3-10,22H,11H2,1-2H3.
What are the key properties of N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline?
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline has a molecular weight of 346.26 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2,6-dimethylaniline is sourced from PubChem (CID 56668954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).