cyclohexyl-(2-iodophenyl)methanamine

C13H18IN — CID 112630996

IUPACcyclohexyl-(2-iodophenyl)methanamine
SMILESNC(c1ccccc1I)C1CCCCC1
InChIInChI=1S/C13H18IN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7,15H2
InChIKeyZXYGLIIQWRWXAC-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.87
Rot. Bonds2

About cyclohexyl-(2-iodophenyl)methanamine

cyclohexyl-(2-iodophenyl)methanamine (PubChem CID 112630996) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is cyclohexyl-(2-iodophenyl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(2-iodophenyl)methanamine
PubChem CID112630996
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC Namecyclohexyl-(2-iodophenyl)methanamine
SMILESNC(c1ccccc1I)C1CCCCC1
InChIInChI=1S/C13H18IN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7,15H2
InChIKeyZXYGLIIQWRWXAC-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.87
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

cycloheptyl-(2-iodophenyl)methanamine
CID 105027819
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(1R,2S)-2-amino-1-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906
(2-bromo-3-iodophenyl)-cyclopropylmethanamine
CID 130043777
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
cyclohexyl(phenyl)methanamine
CID 11064121
cyclobutyl-(2-iodophenyl)methanol
CID 115837930
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-iodophenyl)methanamine?
The IUPAC name of cyclohexyl-(2-iodophenyl)methanamine (CID 112630996) is cyclohexyl-(2-iodophenyl)methanamine.
What is the SMILES notation for cyclohexyl-(2-iodophenyl)methanamine?
The canonical SMILES for cyclohexyl-(2-iodophenyl)methanamine is NC(c1ccccc1I)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-iodophenyl)methanamine?
The InChIKey is ZXYGLIIQWRWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7,15H2.
What are the key properties of cyclohexyl-(2-iodophenyl)methanamine?
cyclohexyl-(2-iodophenyl)methanamine has a molecular weight of 315.20 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-iodophenyl)methanamine is sourced from PubChem (CID 112630996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).