(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine

C11H15I2N — CID 130628960

IUPAC(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1cc(I)ccc1I
InChIInChI=1S/C11H15I2N/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m1/s1
InChIKeyGDTCJNVBTXTHRN-SNVBAGLBSA-N
MW415.06 g/mol
LogP3.94
Rot. Bonds1

About (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine

(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130628960) has the molecular formula C11H15I2N and a molecular weight of 415.06 g/mol. Its IUPAC name is (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
PubChem CID130628960
Molecular FormulaC11H15I2N
Molecular Weight415.06 g/mol
Exact Mass414.93
IUPAC Name(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1cc(I)ccc1I
InChIInChI=1S/C11H15I2N/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m1/s1
InChIKeyGDTCJNVBTXTHRN-SNVBAGLBSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.06
LogP ≤ 53.94
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

2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130900597
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride
CID 171251664
1,4-diiodo-2-propan-2-ylbenzene
CID 71000258
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
CID 130782192
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 131172460
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130634470
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
CID 130613633

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine (CID 130628960) is (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@H](N)c1cc(I)ccc1I.
What is the InChIKey of (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is GDTCJNVBTXTHRN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15I2N/c1-11(2,3)10(14)8-6-7(12)4-5-9(8)13/h4-6,10H,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine?
(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 415.06 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130628960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).