N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline

C15H14F2IN — CID 43717020

IUPACN-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC(C)c1c(F)cccc1F
InChIInChI=1S/C15H14F2IN/c1-9-8-11(18)6-7-14(9)19-10(2)15-12(16)4-3-5-13(15)17/h3-8,10,19H,1-2H3
InChIKeyVXOMBOWSSGVZSK-UHFFFAOYSA-N
MW373.18 g/mol
LogP5.05
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline

N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline (PubChem CID 43717020) has the molecular formula C15H14F2IN and a molecular weight of 373.18 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
PubChem CID43717020
Molecular FormulaC15H14F2IN
Molecular Weight373.18 g/mol
Exact Mass373.01
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC(C)c1c(F)cccc1F
InChIInChI=1S/C15H14F2IN/c1-9-8-11(18)6-7-14(9)19-10(2)15-12(16)4-3-5-13(15)17/h3-8,10,19H,1-2H3
InChIKeyVXOMBOWSSGVZSK-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.18
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline
CID 43110826
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 83069132
N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448442
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
4-iodo-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43226863
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
CID 102852745
4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 62091392
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
2-(4-iodo-2-methylanilino)propanoic acid
CID 66173319
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-iodo-2-methylaniline
CID 63752277

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline (CID 43717020) is N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline is Cc1cc(I)ccc1NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline?
The InChIKey is VXOMBOWSSGVZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2IN/c1-9-8-11(18)6-7-14(9)19-10(2)15-12(16)4-3-5-13(15)17/h3-8,10,19H,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline?
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline has a molecular weight of 373.18 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline is sourced from PubChem (CID 43717020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).