2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium

C15H23FNO+ — CID 6962801

IUPAC2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium
SMILESCO[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-18-15-8-3-2-7-14(15)17-10-9-12-5-4-6-13(16)11-12/h4-6,11,14-15,17H,2-3,7-10H2,1H3/p+1/t14-,15-/m0/s1
InChIKeyATOIFDNGIQBLAA-GJZGRUSLSA-O
MW252.35 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium

2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium (PubChem CID 6962801) has the molecular formula C15H23FNO+ and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium.

Molecular Properties

Compound Name2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium
PubChem CID6962801
Molecular FormulaC15H23FNO+
Molecular Weight252.35 g/mol
Exact Mass252.18
IUPAC Name2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium
SMILESCO[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-18-15-8-3-2-7-14(15)17-10-9-12-5-4-6-13(16)11-12/h4-6,11,14-15,17H,2-3,7-10H2,1H3/p+1/t14-,15-/m0/s1
InChIKeyATOIFDNGIQBLAA-GJZGRUSLSA-O
XLogP1.89
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium
CID 6944367
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423
2-(3-fluorophenyl)ethyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 6962735
2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium
CID 4743356
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
CID 113395242
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
CID 90171486
CID 90171486
2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
CID 2249443
1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43777654
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium?
The IUPAC name of 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium (CID 6962801) is 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium.
What is the SMILES notation for 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium?
The canonical SMILES for 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium is CO[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium?
The InChIKey is ATOIFDNGIQBLAA-GJZGRUSLSA-O. The full InChI is InChI=1S/C15H22FNO/c1-18-15-8-3-2-7-14(15)17-10-9-12-5-4-6-13(16)11-12/h4-6,11,14-15,17H,2-3,7-10H2,1H3/p+1/t14-,15-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium?
2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium has a molecular weight of 252.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium is sourced from PubChem (CID 6962801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).