2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline

C15H19NO — CID 43196557

IUPAC2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1ccc(C)c(NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C15H19NO/c1-10-5-6-11(2)14(9-10)16-13(4)15-8-7-12(3)17-15/h5-9,13,16H,1-4H3
InChIKeyBOGBJIOXSACOEF-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.38
Rot. Bonds3

About 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline

2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline (PubChem CID 43196557) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
PubChem CID43196557
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1ccc(C)c(NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C15H19NO/c1-10-5-6-11(2)14(9-10)16-13(4)15-8-7-12(3)17-15/h5-9,13,16H,1-4H3
InChIKeyBOGBJIOXSACOEF-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenecarbothioamide
CID 62301253
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 43718730
N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
CID 43677311
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724
N-[2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43735957
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43124775
2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
CID 61476589
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 102605008
5-bromo-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 114259409
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline (CID 43196557) is 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline is Cc1ccc(C)c(NC(C)c2ccc(C)o2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The InChIKey is BOGBJIOXSACOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-5-6-11(2)14(9-10)16-13(4)15-8-7-12(3)17-15/h5-9,13,16H,1-4H3.
What are the key properties of 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline has a molecular weight of 229.32 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline is sourced from PubChem (CID 43196557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).