N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline

C15H18INO — CID 114256989

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
SMILESCc1cc(C(C)Nc2cc(I)ccc2C)c(C)o1
InChIInChI=1S/C15H18INO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3
InChIKeyOXAFNHRBRKOGDN-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.98
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline (PubChem CID 114256989) has the molecular formula C15H18INO and a molecular weight of 355.22 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
PubChem CID114256989
Molecular FormulaC15H18INO
Molecular Weight355.22 g/mol
Exact Mass355.04
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
SMILESCc1cc(C(C)Nc2cc(I)ccc2C)c(C)o1
InChIInChI=1S/C15H18INO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3
InChIKeyOXAFNHRBRKOGDN-UHFFFAOYSA-N
XLogP4.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
1-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590224
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314
3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine
CID 55145854
5-iodo-2-methyl-N-[1-(3-methylphenyl)ethyl]aniline
CID 114257190
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 63478098
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
CID 43740192
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
N-[1-(4-bromothiophen-2-yl)ethyl]-5-iodo-2-methylaniline
CID 114257070
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511628

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline (CID 114256989) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline is Cc1cc(C(C)Nc2cc(I)ccc2C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline?
The InChIKey is OXAFNHRBRKOGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline has a molecular weight of 355.22 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline is sourced from PubChem (CID 114256989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).