2-ethyl-1-(4-iodophenyl)butan-1-amine

C12H18IN — CID 105013714

IUPAC2-ethyl-1-(4-iodophenyl)butan-1-amine
SMILESCCC(CC)C(N)c1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-3-9(4-2)12(14)10-5-7-11(13)8-6-10/h5-9,12H,3-4,14H2,1-2H3
InChIKeyHRZXANAYESHJEG-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.73
Rot. Bonds4

About 2-ethyl-1-(4-iodophenyl)butan-1-amine

2-ethyl-1-(4-iodophenyl)butan-1-amine (PubChem CID 105013714) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-ethyl-1-(4-iodophenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-iodophenyl)butan-1-amine
PubChem CID105013714
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name2-ethyl-1-(4-iodophenyl)butan-1-amine
SMILESCCC(CC)C(N)c1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-3-9(4-2)12(14)10-5-7-11(13)8-6-10/h5-9,12H,3-4,14H2,1-2H3
InChIKeyHRZXANAYESHJEG-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-(4-iodophenyl)butan-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

(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol
CID 171261947
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770
(1S,2R)-1-amino-1-(4-iodophenyl)hexan-2-ol;hydrochloride
CID 171267629
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
CID 171191723
1-(3-bromo-4-methylphenyl)-2-ethylbutan-1-amine
CID 105013875
(1R,2S)-1-amino-1-(4-iodophenyl)-5-methylhexan-2-ol
CID 171261951
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine
CID 130815078
1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine
CID 82984910
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
2-ethyl-1-(3-ethylphenyl)butan-1-amine
CID 105018813

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-iodophenyl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(4-iodophenyl)butan-1-amine (CID 105013714) is 2-ethyl-1-(4-iodophenyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-iodophenyl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-iodophenyl)butan-1-amine is CCC(CC)C(N)c1ccc(I)cc1.
What is the InChIKey of 2-ethyl-1-(4-iodophenyl)butan-1-amine?
The InChIKey is HRZXANAYESHJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-3-9(4-2)12(14)10-5-7-11(13)8-6-10/h5-9,12H,3-4,14H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-iodophenyl)butan-1-amine?
2-ethyl-1-(4-iodophenyl)butan-1-amine has a molecular weight of 303.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-iodophenyl)butan-1-amine is sourced from PubChem (CID 105013714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).