(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine

C11H14IN — CID 130815078

IUPAC(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1ccc(I)cc1
InChIInChI=1S/C11H14IN/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,11H,1,7,13H2,2H3/t11-/m1/s1
InChIKeyUZBSTEVHOLSLOB-LLVKDONJSA-N
MW287.14 g/mol
LogP3.26
Rot. Bonds3

About (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine

(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine (PubChem CID 130815078) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine
PubChem CID130815078
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1ccc(I)cc1
InChIInChI=1S/C11H14IN/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,11H,1,7,13H2,2H3/t11-/m1/s1
InChIKeyUZBSTEVHOLSLOB-LLVKDONJSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-3-methyl-1-(4-methylphenyl)but-3-en-1-amine
CID 130989094
(1R)-1-(4-ethylphenyl)-3-methylbut-3-en-1-amine
CID 171211237
4-[(1S)-1-amino-3-methylbut-3-enyl]benzonitrile
CID 130817356
(1S)-3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-1-amine
CID 171226844
(1S)-3-methyl-1-(4-methylsulfonylphenyl)but-3-en-1-amine;hydrochloride
CID 171217926
4-[(1S)-1-amino-3-methylbut-3-enyl]benzene-1,2-diol;hydrochloride
CID 171217616
[4-[(1S)-1-amino-3-methylbut-3-enyl]phenyl] acetate;hydrochloride
CID 171229428
(1S)-1-(6-chloro-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 131057518
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methylphenol
CID 131361575
(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
CID 131096191
(1R)-1-(3-chloro-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 130856721
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine?
The IUPAC name of (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine (CID 130815078) is (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine is C=C(C)C[C@@H](N)c1ccc(I)cc1.
What is the InChIKey of (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine?
The InChIKey is UZBSTEVHOLSLOB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14IN/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,11H,1,7,13H2,2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine?
(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine has a molecular weight of 287.14 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 130815078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).