4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline

C14H15Cl2NO — CID 168525372

IUPAC4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cc(Cl)c(Cl)cc1-c1ccco1
InChIInChI=1S/C14H15Cl2NO/c1-9(2)8-17-13-7-12(16)11(15)6-10(13)14-4-3-5-18-14/h3-7,9,17H,8H2,1-2H3
InChIKeyKUUMXUBUVAQNDB-UHFFFAOYSA-N
MW284.19 g/mol
LogP5.32
Rot. Bonds4

About 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline

4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline (PubChem CID 168525372) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline
PubChem CID168525372
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1cc(Cl)c(Cl)cc1-c1ccco1
InChIInChI=1S/C14H15Cl2NO/c1-9(2)8-17-13-7-12(16)11(15)6-10(13)14-4-3-5-18-14/h3-7,9,17H,8H2,1-2H3
InChIKeyKUUMXUBUVAQNDB-UHFFFAOYSA-N
XLogP5.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.19
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-N,4-dimethylaniline
CID 145268852
2-(4-bromo-5-chloro-2-methylphenyl)furan
CID 168524424
3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 168525107
N-[4,5-dichloro-2-(2-methylpropylamino)phenyl]-4-methylbenzenesulfonamide
CID 169370593
4-chloro-2-(furan-2-yl)-5-methylbenzenesulfonic acid
CID 168528704
4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide
CID 168525765
2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol
CID 60897326
2-(2-propan-2-ylphenyl)furan
CID 23404422
2-(2,4,6-trichlorophenyl)furan
CID 91803022
N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide
CID 168528492
N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 168527698
2,4-dichloro-6-(furan-2-yl)phenol
CID 168524545

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline?
The IUPAC name of 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline (CID 168525372) is 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline?
The canonical SMILES for 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline is CC(C)CNc1cc(Cl)c(Cl)cc1-c1ccco1.
What is the InChIKey of 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline?
The InChIKey is KUUMXUBUVAQNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-9(2)8-17-13-7-12(16)11(15)6-10(13)14-4-3-5-18-14/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline?
4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline has a molecular weight of 284.19 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(furan-2-yl)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 168525372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).