(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol

C13H18FNO — CID 25149558

IUPAC(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol
SMILESN[C@H]1CCCC[C@H]1[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h5-8,11-13,16H,1-4,15H2/t11-,12+,13+/m1/s1
InChIKeyBKBGCNGPZQZJLY-AGIUHOORSA-N
MW223.29 g/mol
LogP2.38
Rot. Bonds2

About (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol

(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol (PubChem CID 25149558) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol
PubChem CID25149558
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol
SMILESN[C@H]1CCCC[C@H]1[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h5-8,11-13,16H,1-4,15H2/t11-,12+,13+/m1/s1
InChIKeyBKBGCNGPZQZJLY-AGIUHOORSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol?
The IUPAC name of (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol (CID 25149558) is (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol.
What is the SMILES notation for (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol?
The canonical SMILES for (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol is N[C@H]1CCCC[C@H]1[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol?
The InChIKey is BKBGCNGPZQZJLY-AGIUHOORSA-N. The full InChI is InChI=1S/C13H18FNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h5-8,11-13,16H,1-4,15H2/t11-,12+,13+/m1/s1.
What are the key properties of (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol?
(R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol has a molecular weight of 223.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1R,2S)-2-aminocyclohexyl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 25149558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).