[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium

C15H24NO+ — CID 6944367

IUPAC[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium
SMILESCO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1
InChIInChI=1S/C15H23NO/c1-17-15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h2-4,7-8,14-16H,5-6,9-12H2,1H3/p+1/t14-,15-/m0/s1
InChIKeyNAMQJTJLKSDSAA-GJZGRUSLSA-O
MW234.36 g/mol
LogP1.75
Rot. Bonds5

About [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium

[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium (PubChem CID 6944367) has the molecular formula C15H24NO+ and a molecular weight of 234.36 g/mol. Its IUPAC name is [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium
PubChem CID6944367
Molecular FormulaC15H24NO+
Molecular Weight234.36 g/mol
Exact Mass234.19
IUPAC Name[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium
SMILESCO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1
InChIInChI=1S/C15H23NO/c1-17-15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h2-4,7-8,14-16H,5-6,9-12H2,1H3/p+1/t14-,15-/m0/s1
InChIKeyNAMQJTJLKSDSAA-GJZGRUSLSA-O
XLogP1.75
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium?
The IUPAC name of [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium (CID 6944367) is [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium.
What is the SMILES notation for [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium?
The canonical SMILES for [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium is CO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1.
What is the InChIKey of [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium?
The InChIKey is NAMQJTJLKSDSAA-GJZGRUSLSA-O. The full InChI is InChI=1S/C15H23NO/c1-17-15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h2-4,7-8,14-16H,5-6,9-12H2,1H3/p+1/t14-,15-/m0/s1.
What are the key properties of [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium?
[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium has a molecular weight of 234.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium is sourced from PubChem (CID 6944367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).