2-(furan-2-yl)-N,4-dimethylaniline

C12H13NO — CID 145268852

IUPAC2-(furan-2-yl)-N,4-dimethylaniline
SMILESCNc1ccc(C)cc1-c1ccco1
InChIInChI=1S/C12H13NO/c1-9-5-6-11(13-2)10(8-9)12-4-3-7-14-12/h3-8,13H,1-2H3
InChIKeyXEIOIXWWEDXEMB-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.30
Rot. Bonds2

About 2-(furan-2-yl)-N,4-dimethylaniline

2-(furan-2-yl)-N,4-dimethylaniline (PubChem CID 145268852) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-N,4-dimethylaniline.

Molecular Properties

Compound Name2-(furan-2-yl)-N,4-dimethylaniline
PubChem CID145268852
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(furan-2-yl)-N,4-dimethylaniline
SMILESCNc1ccc(C)cc1-c1ccco1
InChIInChI=1S/C12H13NO/c1-9-5-6-11(13-2)10(8-9)12-4-3-7-14-12/h3-8,13H,1-2H3
InChIKeyXEIOIXWWEDXEMB-UHFFFAOYSA-N
XLogP3.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(furan-3-yl)-N,4-dimethylaniline
CID 145268869
5-(furan-2-yl)-N,2-dimethylaniline
CID 68654005
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
4-[2-(furan-2-yl)-4-methylphenyl]morpholine
CID 168526395
ethane;2-(furan-2-yl)furan
CID 161366084
N,2,4-trimethylaniline;hydrochloride
CID 18686602
ethane;2-(2-methylphenyl)furan
CID 142082580
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 62716630
2-[6-(furan-2-yl)-3,8-dimethylpyren-1-yl]furan
CID 59510179
3-(furan-2-yl)-4-methylphenol
CID 131162785
3-(furan-2-yl)-4-methylaniline
CID 61319019
2-(furan-2-yl)-5-methylbenzene-1,4-diamine
CID 18798879

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N,4-dimethylaniline?
The IUPAC name of 2-(furan-2-yl)-N,4-dimethylaniline (CID 145268852) is 2-(furan-2-yl)-N,4-dimethylaniline.
What is the SMILES notation for 2-(furan-2-yl)-N,4-dimethylaniline?
The canonical SMILES for 2-(furan-2-yl)-N,4-dimethylaniline is CNc1ccc(C)cc1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N,4-dimethylaniline?
The InChIKey is XEIOIXWWEDXEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-5-6-11(13-2)10(8-9)12-4-3-7-14-12/h3-8,13H,1-2H3.
What are the key properties of 2-(furan-2-yl)-N,4-dimethylaniline?
2-(furan-2-yl)-N,4-dimethylaniline has a molecular weight of 187.24 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N,4-dimethylaniline is sourced from PubChem (CID 145268852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).