[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium

C16H26NO2+ — CID 6940711

IUPAC[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC[NH2+][C@@H]1CCCC[C@@H]1OC
InChIInChI=1S/C16H25NO2/c1-18-15-9-5-3-7-13(15)11-12-17-14-8-4-6-10-16(14)19-2/h3,5,7,9,14,16-17H,4,6,8,10-12H2,1-2H3/p+1/t14-,16+/m1/s1
InChIKeyUCPUZQNWLLHCMH-ZBFHGGJFSA-O
MW264.39 g/mol
LogP1.76
Rot. Bonds6

About [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium

[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium (PubChem CID 6940711) has the molecular formula C16H26NO2+ and a molecular weight of 264.39 g/mol. Its IUPAC name is [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium
PubChem CID6940711
Molecular FormulaC16H26NO2+
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC[NH2+][C@@H]1CCCC[C@@H]1OC
InChIInChI=1S/C16H25NO2/c1-18-15-9-5-3-7-13(15)11-12-17-14-8-4-6-10-16(14)19-2/h3,5,7,9,14,16-17H,4,6,8,10-12H2,1-2H3/p+1/t14-,16+/m1/s1
InChIKeyUCPUZQNWLLHCMH-ZBFHGGJFSA-O
XLogP1.76
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium
CID 6944367
2-(3,4-dimethoxyphenyl)ethyl-[(1R,2R)-2-methoxycyclohexyl]azanium
CID 7377931
trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768564
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-methoxyphenyl)ethyl]azanium
CID 11904269
cis-(1S,2R)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768559
[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(2-methoxyphenyl)methyl]azanium
CID 8004670
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium (CID 6940711) is [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium is COc1ccccc1CC[NH2+][C@@H]1CCCC[C@@H]1OC.
What is the InChIKey of [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is UCPUZQNWLLHCMH-ZBFHGGJFSA-O. The full InChI is InChI=1S/C16H25NO2/c1-18-15-9-5-3-7-13(15)11-12-17-14-8-4-6-10-16(14)19-2/h3,5,7,9,14,16-17H,4,6,8,10-12H2,1-2H3/p+1/t14-,16+/m1/s1.
What are the key properties of [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium?
[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 264.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 6940711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).