2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline

C13H17ClINO — CID 113414367

IUPAC2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline
SMILESCOC1CCC(Nc2ccc(I)cc2Cl)CC1
InChIInChI=1S/C13H17ClINO/c1-17-11-5-3-10(4-6-11)16-13-7-2-9(15)8-12(13)14/h2,7-8,10-11,16H,3-6H2,1H3
InChIKeyQAHGADBESWKDKO-UHFFFAOYSA-N
MW365.64 g/mol
LogP4.31
Rot. Bonds3

About 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline

2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline (PubChem CID 113414367) has the molecular formula C13H17ClINO and a molecular weight of 365.64 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline
PubChem CID113414367
Molecular FormulaC13H17ClINO
Molecular Weight365.64 g/mol
Exact Mass365.00
IUPAC Name2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline
SMILESCOC1CCC(Nc2ccc(I)cc2Cl)CC1
InChIInChI=1S/C13H17ClINO/c1-17-11-5-3-10(4-6-11)16-13-7-2-9(15)8-12(13)14/h2,7-8,10-11,16H,3-6H2,1H3
InChIKeyQAHGADBESWKDKO-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-iodo-N-(4-methoxycyclohexyl)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

3-chloro-4-[(4-methoxycyclohexyl)amino]benzonitrile
CID 107807193
N-(2-chloro-4-iodophenyl)-4-ethylcycloheptan-1-amine
CID 65083669
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
2-chloro-4-iodo-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43733805
4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262468
N-(2-chloro-4-iodophenyl)-5,5-dimethylthian-3-amine
CID 79958215
2-(2-chloro-4-iodoanilino)cyclopentan-1-ol
CID 107606370
2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
CID 28967824
N-(2-chloro-4-methoxyphenyl)thian-4-amine
CID 115877189
N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine
CID 63445286
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline?
The IUPAC name of 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline (CID 113414367) is 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline?
The canonical SMILES for 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline is COC1CCC(Nc2ccc(I)cc2Cl)CC1.
What is the InChIKey of 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline?
The InChIKey is QAHGADBESWKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClINO/c1-17-11-5-3-10(4-6-11)16-13-7-2-9(15)8-12(13)14/h2,7-8,10-11,16H,3-6H2,1H3.
What are the key properties of 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline?
2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline has a molecular weight of 365.64 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-(4-methoxycyclohexyl)aniline is sourced from PubChem (CID 113414367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).