(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C13H15N3 — CID 28793311

IUPAC(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1
InChIInChI=1S/C13H15N3/c14-13-11-4-2-1-3-10(11)5-6-12(13)16-8-7-15-9-16/h1-4,7-9,12-13H,5-6,14H2/t12-,13+/m0/s1
InChIKeyXURCCJOGZFFRKU-QWHCGFSZSA-N
MW213.28 g/mol
LogP2.07
Rot. Bonds1

About (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 28793311) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID28793311
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1
InChIInChI=1S/C13H15N3/c14-13-11-4-2-1-3-10(11)5-6-12(13)16-8-7-15-9-16/h1-4,7-9,12-13H,5-6,14H2/t12-,13+/m0/s1
InChIKeyXURCCJOGZFFRKU-QWHCGFSZSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 28793311) is (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1.
What is the InChIKey of (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XURCCJOGZFFRKU-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H15N3/c14-13-11-4-2-1-3-10(11)5-6-12(13)16-8-7-15-9-16/h1-4,7-9,12-13H,5-6,14H2/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 28793311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).