(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine

C11H16IN — CID 130782192

IUPAC(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(I)cc1[C@H](N)C(C)C
InChIInChI=1S/C11H16IN/c1-7(2)11(13)10-6-9(12)5-4-8(10)3/h4-7,11H,13H2,1-3H3/t11-/m1/s1
InChIKeyLEVGTHYEXBJSRA-LLVKDONJSA-N
MW289.16 g/mol
LogP3.26
Rot. Bonds2

About (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine

(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine (PubChem CID 130782192) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
PubChem CID130782192
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(I)cc1[C@H](N)C(C)C
InChIInChI=1S/C11H16IN/c1-7(2)11(13)10-6-9(12)5-4-8(10)3/h4-7,11H,13H2,1-3H3/t11-/m1/s1
InChIKeyLEVGTHYEXBJSRA-LLVKDONJSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.26
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

(1S,2S)-1-amino-1-(5-iodo-2-methylphenyl)propan-2-ol
CID 130701477
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
2-(1-bromoethyl)-4-iodo-1-methylbenzene
CID 174765860
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(1S)-1-(5-iodo-2-methylphenyl)but-3-en-1-amine
CID 131128352
3-amino-3-(5-iodo-2-methylphenyl)propanoic acid
CID 130043623
2-(5-iodo-2-methylphenyl)propanoic acid
CID 57419648
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 82477672
(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464
(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
CID 130628960

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine (CID 130782192) is (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine is Cc1ccc(I)cc1[C@H](N)C(C)C.
What is the InChIKey of (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is LEVGTHYEXBJSRA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16IN/c1-7(2)11(13)10-6-9(12)5-4-8(10)3/h4-7,11H,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine?
(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 289.16 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130782192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).