4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline

C14H19ClIN — CID 107631533

IUPAC4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
SMILESCC1CCCC(Nc2ccc(Cl)cc2I)C1C
InChIInChI=1S/C14H19ClIN/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3
InChIKeyJBXHMMKGWFNUEJ-UHFFFAOYSA-N
MW363.67 g/mol
LogP5.18
Rot. Bonds2

About 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline

4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline (PubChem CID 107631533) has the molecular formula C14H19ClIN and a molecular weight of 363.67 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
PubChem CID107631533
Molecular FormulaC14H19ClIN
Molecular Weight363.67 g/mol
Exact Mass363.03
IUPAC Name4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
SMILESCC1CCCC(Nc2ccc(Cl)cc2I)C1C
InChIInChI=1S/C14H19ClIN/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3
InChIKeyJBXHMMKGWFNUEJ-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(2,3-dimethylcyclohexyl)amino]benzenecarbothioamide
CID 63518518
2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
CID 64761795
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
CID 107631855
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
N-(4-chloro-2-iodophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107631697
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzonitrile
CID 64908917
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
CID 64921035
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline?
The IUPAC name of 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline (CID 107631533) is 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline?
The canonical SMILES for 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline is CC1CCCC(Nc2ccc(Cl)cc2I)C1C.
What is the InChIKey of 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline?
The InChIKey is JBXHMMKGWFNUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClIN/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3.
What are the key properties of 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline?
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline has a molecular weight of 363.67 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline is sourced from PubChem (CID 107631533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).