(R)-cyclohexyl-(4-iodophenyl)methanamine

C13H18IN — CID 171202889

IUPAC(R)-cyclohexyl-(4-iodophenyl)methanamine
SMILESN[C@@H](c1ccc(I)cc1)C1CCCCC1
InChIInChI=1S/C13H18IN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2/t13-/m1/s1
InChIKeyWFLPYZRBMWNQHR-CYBMUJFWSA-N
MW315.20 g/mol
LogP3.87
Rot. Bonds2

About (R)-cyclohexyl-(4-iodophenyl)methanamine

(R)-cyclohexyl-(4-iodophenyl)methanamine (PubChem CID 171202889) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is (R)-cyclohexyl-(4-iodophenyl)methanamine.

Molecular Properties

Compound Name(R)-cyclohexyl-(4-iodophenyl)methanamine
PubChem CID171202889
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC Name(R)-cyclohexyl-(4-iodophenyl)methanamine
SMILESN[C@@H](c1ccc(I)cc1)C1CCCCC1
InChIInChI=1S/C13H18IN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2/t13-/m1/s1
InChIKeyWFLPYZRBMWNQHR-CYBMUJFWSA-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

(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
cyclohexyl(phenyl)methanamine
CID 11064121
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
(S)-cyclopentyl-(4-methylsulfanylphenyl)methanamine
CID 96672435
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(4-iodophenyl)methanamine?
The IUPAC name of (R)-cyclohexyl-(4-iodophenyl)methanamine (CID 171202889) is (R)-cyclohexyl-(4-iodophenyl)methanamine.
What is the SMILES notation for (R)-cyclohexyl-(4-iodophenyl)methanamine?
The canonical SMILES for (R)-cyclohexyl-(4-iodophenyl)methanamine is N[C@@H](c1ccc(I)cc1)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-(4-iodophenyl)methanamine?
The InChIKey is WFLPYZRBMWNQHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18IN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2/t13-/m1/s1.
What are the key properties of (R)-cyclohexyl-(4-iodophenyl)methanamine?
(R)-cyclohexyl-(4-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 (R)-cyclohexyl-(4-iodophenyl)methanamine is sourced from PubChem (CID 171202889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).