(1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H14IN — CID 130624371

IUPAC(1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(I)c2c(c1)[C@@H](N)CCC2
InChIInChI=1S/C11H14IN/c1-7-5-9-8(10(12)6-7)3-2-4-11(9)13/h5-6,11H,2-4,13H2,1H3/t11-/m0/s1
InChIKeyKAKCECYLGQBCLM-NSHDSACASA-N
MW287.14 g/mol
LogP2.94
Rot. Bonds

About (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 130624371) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID130624371
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name(1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(I)c2c(c1)[C@@H](N)CCC2
InChIInChI=1S/C11H14IN/c1-7-5-9-8(10(12)6-7)3-2-4-11(9)13/h5-6,11H,2-4,13H2,1H3/t11-/m0/s1
InChIKeyKAKCECYLGQBCLM-NSHDSACASA-N
XLogP2.94
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 ≤ 52.94
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

(1R)-7-chloro-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55274275
(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 130692932
(1R)-4-bromo-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 130673475
(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol
CID 130648423
(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 131173128
(1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55275890
2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63466077
(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 162344374
(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile
CID 130739664
(1S)-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51441576
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185
5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327

Frequently Asked Questions

What is the IUPAC name of (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 130624371) is (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(I)c2c(c1)[C@@H](N)CCC2.
What is the InChIKey of (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KAKCECYLGQBCLM-NSHDSACASA-N. The full InChI is InChI=1S/C11H14IN/c1-7-5-9-8(10(12)6-7)3-2-4-11(9)13/h5-6,11H,2-4,13H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.14 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 130624371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).