[(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium

C16H26NO2+ — CID 6944161

IUPAC[(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium
SMILESCOc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2OC)cc1
InChIInChI=1S/C16H25NO2/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3/p+1/t15-,16+/m1/s1
InChIKeyKGOUXTPCLRWHSH-CVEARBPZSA-O
MW264.39 g/mol
LogP1.76
Rot. Bonds6

About [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium

[(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium (PubChem CID 6944161) has the molecular formula C16H26NO2+ and a molecular weight of 264.39 g/mol. Its IUPAC name is [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium
PubChem CID6944161
Molecular FormulaC16H26NO2+
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium
SMILESCOc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2OC)cc1
InChIInChI=1S/C16H25NO2/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3/p+1/t15-,16+/m1/s1
InChIKeyKGOUXTPCLRWHSH-CVEARBPZSA-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
2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium
CID 6962801
[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium
CID 6940711
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium
CID 4743356
cyclopentyl-[(4-methoxyphenyl)methyl]azanium
CID 4742547
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium?
The IUPAC name of [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium (CID 6944161) is [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium?
The canonical SMILES for [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium is COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2OC)cc1.
What is the InChIKey of [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium?
The InChIKey is KGOUXTPCLRWHSH-CVEARBPZSA-O. The full InChI is InChI=1S/C16H25NO2/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3/p+1/t15-,16+/m1/s1.
What are the key properties of [(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium?
[(1R,2S)-2-methoxycyclohexyl]-[2-(4-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-(4-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 6944161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).