N-(2,6-dimethylcyclohexyl)-3-iodoaniline

C14H20IN — CID 43124617

IUPACN-(2,6-dimethylcyclohexyl)-3-iodoaniline
SMILESCC1CCCC(C)C1Nc1cccc(I)c1
InChIInChI=1S/C14H20IN/c1-10-5-3-6-11(2)14(10)16-13-8-4-7-12(15)9-13/h4,7-11,14,16H,3,5-6H2,1-2H3
InChIKeyDEHMYBLHORNCJB-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.53
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-3-iodoaniline

N-(2,6-dimethylcyclohexyl)-3-iodoaniline (PubChem CID 43124617) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-3-iodoaniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-3-iodoaniline
PubChem CID43124617
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC NameN-(2,6-dimethylcyclohexyl)-3-iodoaniline
SMILESCC1CCCC(C)C1Nc1cccc(I)c1
InChIInChI=1S/C14H20IN/c1-10-5-3-6-11(2)14(10)16-13-8-4-7-12(15)9-13/h4,7-11,14,16H,3,5-6H2,1-2H3
InChIKeyDEHMYBLHORNCJB-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylcyclohexyl)-3-iodoaniline 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

3-[(2,6-dimethylcyclohexyl)amino]benzonitrile
CID 43098261
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
3-[(2,6-dimethylcyclohexyl)amino]benzamide
CID 43202843
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
CID 102733058
N-cyclohex-2-en-1-yl-3-iodoaniline
CID 107906519
N-(2,6-dimethylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 43096766
N-(2,6-dimethylcyclohexyl)-4-phenylaniline
CID 43716849
N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687133
4-[(2,6-dimethylcyclohexyl)amino]-2-fluorophenol
CID 64792592
N-(3-iodophenyl)spiro[4.5]decan-8-amine
CID 114817215
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139
N-(2,6-dimethylcyclohexyl)quinolin-6-amine
CID 63476642

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-3-iodoaniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-3-iodoaniline (CID 43124617) is N-(2,6-dimethylcyclohexyl)-3-iodoaniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-3-iodoaniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-3-iodoaniline is CC1CCCC(C)C1Nc1cccc(I)c1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-3-iodoaniline?
The InChIKey is DEHMYBLHORNCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-10-5-3-6-11(2)14(10)16-13-8-4-7-12(15)9-13/h4,7-11,14,16H,3,5-6H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-3-iodoaniline?
N-(2,6-dimethylcyclohexyl)-3-iodoaniline has a molecular weight of 329.23 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-3-iodoaniline is sourced from PubChem (CID 43124617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).