cyclobutyl-(4-iodo-2-methylphenyl)methanamine

C12H16IN — CID 130061284

IUPACcyclobutyl-(4-iodo-2-methylphenyl)methanamine
SMILESCc1cc(I)ccc1C(N)C1CCC1
InChIInChI=1S/C12H16IN/c1-8-7-10(13)5-6-11(8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3
InChIKeyDKFNNRBUAREUHX-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.40
Rot. Bonds2

About cyclobutyl-(4-iodo-2-methylphenyl)methanamine

cyclobutyl-(4-iodo-2-methylphenyl)methanamine (PubChem CID 130061284) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is cyclobutyl-(4-iodo-2-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(4-iodo-2-methylphenyl)methanamine
PubChem CID130061284
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC Namecyclobutyl-(4-iodo-2-methylphenyl)methanamine
SMILESCc1cc(I)ccc1C(N)C1CCC1
InChIInChI=1S/C12H16IN/c1-8-7-10(13)5-6-11(8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3
InChIKeyDKFNNRBUAREUHX-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.40
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

(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine
CID 82289393
4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937234
(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
CID 116935781
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-iodo-2-methylphenyl)methanamine?
The IUPAC name of cyclobutyl-(4-iodo-2-methylphenyl)methanamine (CID 130061284) is cyclobutyl-(4-iodo-2-methylphenyl)methanamine.
What is the SMILES notation for cyclobutyl-(4-iodo-2-methylphenyl)methanamine?
The canonical SMILES for cyclobutyl-(4-iodo-2-methylphenyl)methanamine is Cc1cc(I)ccc1C(N)C1CCC1.
What is the InChIKey of cyclobutyl-(4-iodo-2-methylphenyl)methanamine?
The InChIKey is DKFNNRBUAREUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN/c1-8-7-10(13)5-6-11(8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3.
What are the key properties of cyclobutyl-(4-iodo-2-methylphenyl)methanamine?
cyclobutyl-(4-iodo-2-methylphenyl)methanamine has a molecular weight of 301.17 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-iodo-2-methylphenyl)methanamine is sourced from PubChem (CID 130061284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).