2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine

C11H17FIN3 — CID 155016597

IUPAC2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine
SMILESCN(C)CCN(C)c1cc(F)ccc1NI
InChIInChI=1S/C11H17FIN3/c1-15(2)6-7-16(3)11-8-9(12)4-5-10(11)14-13/h4-5,8,14H,6-7H2,1-3H3
InChIKeyYYKDFIMKFCVBEY-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.59
Rot. Bonds5

About 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine (PubChem CID 155016597) has the molecular formula C11H17FIN3 and a molecular weight of 337.18 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine
PubChem CID155016597
Molecular FormulaC11H17FIN3
Molecular Weight337.18 g/mol
Exact Mass337.05
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine
SMILESCN(C)CCN(C)c1cc(F)ccc1NI
InChIInChI=1S/C11H17FIN3/c1-15(2)6-7-16(3)11-8-9(12)4-5-10(11)14-13/h4-5,8,14H,6-7H2,1-3H3
InChIKeyYYKDFIMKFCVBEY-UHFFFAOYSA-N
XLogP2.59
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine 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

2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
N'-(5-fluoro-2-nitrophenyl)-N,N,N'-trimethylethane-1,2-diamine
CID 90383171
4-chloro-2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine
CID 143265402
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride
CID 135325301
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-propylbenzene-1,2-diamine
CID 62378190
N'-(2,4-difluorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 22052023
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525122
2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
CID 135325242

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine (CID 155016597) is 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine is CN(C)CCN(C)c1cc(F)ccc1NI.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine?
The InChIKey is YYKDFIMKFCVBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FIN3/c1-15(2)6-7-16(3)11-8-9(12)4-5-10(11)14-13/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine has a molecular weight of 337.18 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-4-fluoro-1-N-iodo-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 155016597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).