(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine

C10H12IN — CID 131030686

IUPAC(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1CCc2cccc(I)c2C1
InChIInChI=1S/C10H12IN/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3,8H,4-6,12H2/t8-/m0/s1
InChIKeyKNGQWCQZJASKKZ-QMMMGPOBSA-N
MW273.12 g/mol
LogP2.11
Rot. Bonds

About (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 131030686) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID131030686
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1CCc2cccc(I)c2C1
InChIInChI=1S/C10H12IN/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3,8H,4-6,12H2/t8-/m0/s1
InChIKeyKNGQWCQZJASKKZ-QMMMGPOBSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.11
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

8-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130000646
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836578
(2R)-8-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25059790
(2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25114259
8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine
CID 57021351
(6R)-6-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 55294355
7-iodo-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 154724452
6-amino-5,6,7,8-tetrahydronaphthalene-1,4-diol;hydrobromide
CID 90678179
5,6,7,8-tetrahydroquinolin-7-amine;hydrochloride
CID 156621052
(2S)-7-iodo-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131076121

Frequently Asked Questions

What is the IUPAC name of (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine (CID 131030686) is (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine is N[C@H]1CCc2cccc(I)c2C1.
What is the InChIKey of (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KNGQWCQZJASKKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12IN/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3,8H,4-6,12H2/t8-/m0/s1.
What are the key properties of (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 273.12 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 131030686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).