cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

C18H28FNO — CID 18638106

IUPACcis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCCN(CC)C[C@@H]1CCCC[C@]1(O)Cc1ccccc1F
InChIInChI=1S/C18H28FNO/c1-3-20(4-2)14-16-10-7-8-12-18(16,21)13-15-9-5-6-11-17(15)19/h5-6,9,11,16,21H,3-4,7-8,10,12-14H2,1-2H3/t16-,18-/m0/s1
InChIKeyPPFJRFMAPAUSSQ-WMZOPIPTSA-N
MW293.43 g/mol
LogP3.63
Rot. Bonds6

About cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 18638106) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID18638106
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Namecis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCCN(CC)C[C@@H]1CCCC[C@]1(O)Cc1ccccc1F
InChIInChI=1S/C18H28FNO/c1-3-20(4-2)14-16-10-7-8-12-18(16,21)13-15-9-5-6-11-17(15)19/h5-6,9,11,16,21H,3-4,7-8,10,12-14H2,1-2H3/t16-,18-/m0/s1
InChIKeyPPFJRFMAPAUSSQ-WMZOPIPTSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (CID 18638106) is cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is CCN(CC)C[C@@H]1CCCC[C@]1(O)Cc1ccccc1F.
What is the InChIKey of cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is PPFJRFMAPAUSSQ-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-20(4-2)14-16-10-7-8-12-18(16,21)13-15-9-5-6-11-17(15)19/h5-6,9,11,16,21H,3-4,7-8,10,12-14H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 18638106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).