N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline

C15H22IN — CID 64752738

IUPACN-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H22IN/c1-10-6-11(2)8-14(7-10)17-15-5-4-13(16)9-12(15)3/h4-5,9-11,14,17H,6-8H2,1-3H3
InChIKeyAXMZYDOVKRAURX-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.84
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline

N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline (PubChem CID 64752738) has the molecular formula C15H22IN and a molecular weight of 343.25 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
PubChem CID64752738
Molecular FormulaC15H22IN
Molecular Weight343.25 g/mol
Exact Mass343.08
IUPAC NameN-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H22IN/c1-10-6-11(2)8-14(7-10)17-15-5-4-13(16)9-12(15)3/h4-5,9-11,14,17H,6-8H2,1-3H3
InChIKeyAXMZYDOVKRAURX-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline (CID 64752738) is N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline is Cc1cc(I)ccc1NC1CC(C)CC(C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline?
The InChIKey is AXMZYDOVKRAURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN/c1-10-6-11(2)8-14(7-10)17-15-5-4-13(16)9-12(15)3/h4-5,9-11,14,17H,6-8H2,1-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline?
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline has a molecular weight of 343.25 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline is sourced from PubChem (CID 64752738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).