trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol

C14H20FNO — CID 70440886

IUPACtrans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
SMILESNC[C@@H](c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H20FNO/c15-11-7-5-10(6-8-11)13(9-16)12-3-1-2-4-14(12)17/h5-8,12-14,17H,1-4,9,16H2/t12-,13+,14+/m1/s1
InChIKeyJZQPUZZDZJPFRU-RDBSUJKOSA-N
MW237.32 g/mol
LogP2.42
Rot. Bonds3

About trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol

trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol (PubChem CID 70440886) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
PubChem CID70440886
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Nametrans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
SMILESNC[C@@H](c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H20FNO/c15-11-7-5-10(6-8-11)13(9-16)12-3-1-2-4-14(12)17/h5-8,12-14,17H,1-4,9,16H2/t12-,13+,14+/m1/s1
InChIKeyJZQPUZZDZJPFRU-RDBSUJKOSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol
CID 70378314
cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol
CID 57084469
2-[2-amino-1-(4-methylphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 45358024
3-(2-amino-1-phenylethyl)piperidin-4-ol
CID 68810626
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403
3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
CID 65185834
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045
4-cyclopentyl-2-(4-fluorophenyl)butan-1-amine
CID 114192542
(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol
CID 25149558
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-[2-amino-1-(4-fluorophenyl)ethyl]borolane-1-carbonitrile
CID 177194285
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol (CID 70440886) is trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol is NC[C@@H](c1ccc(F)cc1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol?
The InChIKey is JZQPUZZDZJPFRU-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H20FNO/c15-11-7-5-10(6-8-11)13(9-16)12-3-1-2-4-14(12)17/h5-8,12-14,17H,1-4,9,16H2/t12-,13+,14+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol?
trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 70440886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).