(2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C11H14IN — CID 131076121

IUPAC(2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cc2c(cc1I)C[C@@H](N)CC2
InChIInChI=1S/C11H14IN/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12/h4,6,10H,2-3,5,13H2,1H3/t10-/m0/s1
InChIKeyBNJPHOKGFZPMFC-JTQLQIEISA-N
MW287.14 g/mol
LogP2.42
Rot. Bonds

About (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 131076121) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID131076121
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name(2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cc2c(cc1I)C[C@@H](N)CC2
InChIInChI=1S/C11H14IN/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12/h4,6,10H,2-3,5,13H2,1H3/t10-/m0/s1
InChIKeyBNJPHOKGFZPMFC-JTQLQIEISA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.42
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

(2R)-7-bromo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130865866
(2R)-7-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130692007
(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine
CID 55272060
(6R)-6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide
CID 70067167
5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55291712
7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10130349
(6R)-6-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 20755569
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
(2S)-6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55272655
6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 142618185
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131030686

Frequently Asked Questions

What is the IUPAC name of (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 131076121) is (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1cc2c(cc1I)C[C@@H](N)CC2.
What is the InChIKey of (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BNJPHOKGFZPMFC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14IN/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12/h4,6,10H,2-3,5,13H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 287.14 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 131076121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).