N-(cyclohexylmethyl)-4-iodo-3-methylaniline

C14H20IN — CID 166607285

IUPACN-(cyclohexylmethyl)-4-iodo-3-methylaniline
SMILESCc1cc(NCC2CCCCC2)ccc1I
InChIInChI=1S/C14H20IN/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyXNJZDOSECWLBIR-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.59
Rot. Bonds3

About N-(cyclohexylmethyl)-4-iodo-3-methylaniline

N-(cyclohexylmethyl)-4-iodo-3-methylaniline (PubChem CID 166607285) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-iodo-3-methylaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-iodo-3-methylaniline
PubChem CID166607285
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC NameN-(cyclohexylmethyl)-4-iodo-3-methylaniline
SMILESCc1cc(NCC2CCCCC2)ccc1I
InChIInChI=1S/C14H20IN/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyXNJZDOSECWLBIR-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.59
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-(cyclohexylmethyl)-4-iodo-3-methylaniline?
The IUPAC name of N-(cyclohexylmethyl)-4-iodo-3-methylaniline (CID 166607285) is N-(cyclohexylmethyl)-4-iodo-3-methylaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-iodo-3-methylaniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-iodo-3-methylaniline is Cc1cc(NCC2CCCCC2)ccc1I.
What is the InChIKey of N-(cyclohexylmethyl)-4-iodo-3-methylaniline?
The InChIKey is XNJZDOSECWLBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-4-iodo-3-methylaniline?
N-(cyclohexylmethyl)-4-iodo-3-methylaniline has a molecular weight of 329.23 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-iodo-3-methylaniline is sourced from PubChem (CID 166607285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).