N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline

C12H18INO — CID 115929993

IUPACN-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
SMILESCCOCC(C)Nc1ccc(I)cc1C
InChIInChI=1S/C12H18INO/c1-4-15-8-10(3)14-12-6-5-11(13)7-9(12)2/h5-7,10,14H,4,8H2,1-3H3
InChIKeyNKVQHSMUNOAZOW-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.44
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline

N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline (PubChem CID 115929993) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
PubChem CID115929993
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC NameN-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
SMILESCCOCC(C)Nc1ccc(I)cc1C
InChIInChI=1S/C12H18INO/c1-4-15-8-10(3)14-12-6-5-11(13)7-9(12)2/h5-7,10,14H,4,8H2,1-3H3
InChIKeyNKVQHSMUNOAZOW-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.44
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

2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine
CID 66095407
N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103585345
N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115929055
N-(1-ethoxypropan-2-yl)-2,6-dimethylpyridin-3-amine
CID 115922217
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102
N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline
CID 115923021
6-chloro-N-[(2S)-1-ethoxypropan-2-yl]-2-methylpyridin-3-amine
CID 99838879
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
N-(1-ethoxypropan-2-yl)-6-methoxy-2-methylpyridin-3-amine
CID 115922325
2-(1-ethoxypropan-2-ylcarbamoylamino)-5-iodobenzoic acid
CID 63111357
2-(4-iodo-2-methylanilino)propanoic acid
CID 66173319

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline (CID 115929993) is N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline is CCOCC(C)Nc1ccc(I)cc1C.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline?
The InChIKey is NKVQHSMUNOAZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c1-4-15-8-10(3)14-12-6-5-11(13)7-9(12)2/h5-7,10,14H,4,8H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline?
N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline has a molecular weight of 319.19 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline is sourced from PubChem (CID 115929993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).