1-(4-iodophenyl)-4,4-dimethylpentan-1-amine

C13H20IN — CID 112630998

IUPAC1-(4-iodophenyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyZCRHTQQVIIJMCL-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.12
Rot. Bonds3

About 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine

1-(4-iodophenyl)-4,4-dimethylpentan-1-amine (PubChem CID 112630998) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-4,4-dimethylpentan-1-amine
PubChem CID112630998
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name1-(4-iodophenyl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyZCRHTQQVIIJMCL-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.12
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

(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 171202898
1-(4-iodophenyl)heptan-1-amine
CID 115833109
(1S)-1-(4-iodophenyl)butane-1,4-diamine;hydrochloride
CID 171222428
(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride
CID 171222425
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
CID 28931172
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260
1-(4-iodophenyl)pent-3-yn-1-amine
CID 115819140
(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine
CID 130815078
1-(2-bromo-5-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114210895

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine (CID 112630998) is 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCC(N)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine?
The InChIKey is ZCRHTQQVIIJMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine?
1-(4-iodophenyl)-4,4-dimethylpentan-1-amine has a molecular weight of 317.21 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 112630998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).