trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

C16H24FNO — CID 13233397

IUPACtrans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCN(C)C[C@@H]1CCCC[C@@]1(O)Cc1ccccc1F
InChIInChI=1S/C16H24FNO/c1-18(2)12-14-8-5-6-10-16(14,19)11-13-7-3-4-9-15(13)17/h3-4,7,9,14,19H,5-6,8,10-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyHNHCYCCNNGLRKE-GOEBONIOSA-N
MW265.37 g/mol
LogP2.85
Rot. Bonds4

About trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 13233397) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID13233397
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Nametrans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCN(C)C[C@@H]1CCCC[C@@]1(O)Cc1ccccc1F
InChIInChI=1S/C16H24FNO/c1-18(2)12-14-8-5-6-10-16(14,19)11-13-7-3-4-9-15(13)17/h3-4,7,9,14,19H,5-6,8,10-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyHNHCYCCNNGLRKE-GOEBONIOSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(3-(Dimethylamino)propyl)-5H-dibenzo(a,d)-cyclohepten-5-ol
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alpha-Cyclohexyl-alpha-(2-(diethylamino)ethyl)benzenemethanol
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CID 31334
Benzhydrol, alpha-(2-(dimethylamino)ethyl)-, hydrochloride
CID 201597
alpha-(2-(Dimethylamino)ethyl)-alpha-phenylbenzenemethanol
CID 199511
(alphaS)-alpha-((1R)-2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol
CID 688064

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (CID 13233397) is trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is CN(C)C[C@@H]1CCCC[C@@]1(O)Cc1ccccc1F.
What is the InChIKey of trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is HNHCYCCNNGLRKE-GOEBONIOSA-N. The full InChI is InChI=1S/C16H24FNO/c1-18(2)12-14-8-5-6-10-16(14,19)11-13-7-3-4-9-15(13)17/h3-4,7,9,14,19H,5-6,8,10-12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 13233397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).