[1-[(4-iodoanilino)methyl]cyclohexyl]methanol

C14H20INO — CID 81412401

IUPAC[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccc(I)cc2)CCCCC1
InChIInChI=1S/C14H20INO/c15-12-4-6-13(7-5-12)16-10-14(11-17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11H2
InChIKeyPWESTCHFNCZTTO-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.65
Rot. Bonds4

About [1-[(4-iodoanilino)methyl]cyclohexyl]methanol

[1-[(4-iodoanilino)methyl]cyclohexyl]methanol (PubChem CID 81412401) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is [1-[(4-iodoanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
PubChem CID81412401
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccc(I)cc2)CCCCC1
InChIInChI=1S/C14H20INO/c15-12-4-6-13(7-5-12)16-10-14(11-17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11H2
InChIKeyPWESTCHFNCZTTO-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-iodoanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-iodoanilino)methyl]cyclohexyl]methanol (CID 81412401) is [1-[(4-iodoanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-iodoanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-iodoanilino)methyl]cyclohexyl]methanol is OCC1(CNc2ccc(I)cc2)CCCCC1.
What is the InChIKey of [1-[(4-iodoanilino)methyl]cyclohexyl]methanol?
The InChIKey is PWESTCHFNCZTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c15-12-4-6-13(7-5-12)16-10-14(11-17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11H2.
What are the key properties of [1-[(4-iodoanilino)methyl]cyclohexyl]methanol?
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol has a molecular weight of 345.22 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-iodoanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).