N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline

C19H18ClNO — CID 91674289

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1
InChIInChI=1S/C19H18ClNO/c1-13-3-9-18(14(2)11-13)21-12-17-8-10-19(22-17)15-4-6-16(20)7-5-15/h3-11,21H,12H2,1-2H3
InChIKeyTWIVXIGSUJHDEH-UHFFFAOYSA-N
MW311.81 g/mol
LogP5.83
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline (PubChem CID 91674289) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline
PubChem CID91674289
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1
InChIInChI=1S/C19H18ClNO/c1-13-3-9-18(14(2)11-13)21-12-17-8-10-19(22-17)15-4-6-16(20)7-5-15/h3-11,21H,12H2,1-2H3
InChIKeyTWIVXIGSUJHDEH-UHFFFAOYSA-N
XLogP5.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.81
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylaniline
CID 91674302
4-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylamino]-3-methylbenzoic acid
CID 17058404
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652448
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]acetonitrile;hydrochloride
CID 17332098
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine
CID 91674310
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
CID 64579556
2-chloro-N-[(5-iodofuran-2-yl)methyl]-4-methylaniline
CID 43772647
4-chloro-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43093359
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline (CID 91674289) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline is Cc1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline?
The InChIKey is TWIVXIGSUJHDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO/c1-13-3-9-18(14(2)11-13)21-12-17-8-10-19(22-17)15-4-6-16(20)7-5-15/h3-11,21H,12H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline has a molecular weight of 311.81 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline is sourced from PubChem (CID 91674289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).