N-ethyl-N-(2-iodoethyl)aniline

C10H14IN — CID 23460336

IUPACN-ethyl-N-(2-iodoethyl)aniline
SMILESCCN(CCI)c1ccccc1
InChIInChI=1S/C10H14IN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyLBEWTVNHZBBRNG-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.95
Rot. Bonds4

About N-ethyl-N-(2-iodoethyl)aniline

N-ethyl-N-(2-iodoethyl)aniline (PubChem CID 23460336) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is N-ethyl-N-(2-iodoethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(2-iodoethyl)aniline
PubChem CID23460336
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC NameN-ethyl-N-(2-iodoethyl)aniline
SMILESCCN(CCI)c1ccccc1
InChIInChI=1S/C10H14IN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyLBEWTVNHZBBRNG-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(2-iodoethyl)aniline 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,N-diethylaniline
CID 7061
N,N-diethylaniline;hydrazine
CID 161037544
CID 161146216
CID 161146216
dichloromethane;N,N-diethylaniline
CID 157472052
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601
S-[2-(N-ethylanilino)ethyl] ethanethioate
CID 141102271
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126
4-(N-ethylanilino)butanoic acid
CID 11390560
N,N-dipropylaniline;ethane
CID 142135231
N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 62424864
3-(N-ethylanilino)propane-1-sulfinic acid
CID 121219374
6-(N-ethylanilino)hexan-3-one
CID 106801166

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-iodoethyl)aniline?
The IUPAC name of N-ethyl-N-(2-iodoethyl)aniline (CID 23460336) is N-ethyl-N-(2-iodoethyl)aniline.
What is the SMILES notation for N-ethyl-N-(2-iodoethyl)aniline?
The canonical SMILES for N-ethyl-N-(2-iodoethyl)aniline is CCN(CCI)c1ccccc1.
What is the InChIKey of N-ethyl-N-(2-iodoethyl)aniline?
The InChIKey is LBEWTVNHZBBRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of N-ethyl-N-(2-iodoethyl)aniline?
N-ethyl-N-(2-iodoethyl)aniline has a molecular weight of 275.13 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-iodoethyl)aniline is sourced from PubChem (CID 23460336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).