[(1R,2S)-2-(benzylamino)cyclohexyl]methanol

C14H21NO — CID 853687

IUPAC[(1R,2S)-2-(benzylamino)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m0/s1
InChIKeyBRQFIORUNWWNBM-KBPBESRZSA-N
MW219.33 g/mol
LogP2.33
Rot. Bonds4

About [(1R,2S)-2-(benzylamino)cyclohexyl]methanol

[(1R,2S)-2-(benzylamino)cyclohexyl]methanol (PubChem CID 853687) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [(1R,2S)-2-(benzylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(benzylamino)cyclohexyl]methanol
PubChem CID853687
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[(1R,2S)-2-(benzylamino)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@@H]1NCc1ccccc1
InChIInChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m0/s1
InChIKeyBRQFIORUNWWNBM-KBPBESRZSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(benzylamino)cyclohexyl]methanol?
The IUPAC name of [(1R,2S)-2-(benzylamino)cyclohexyl]methanol (CID 853687) is [(1R,2S)-2-(benzylamino)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(benzylamino)cyclohexyl]methanol?
The canonical SMILES for [(1R,2S)-2-(benzylamino)cyclohexyl]methanol is OC[C@@H]1CCCC[C@@H]1NCc1ccccc1.
What is the InChIKey of [(1R,2S)-2-(benzylamino)cyclohexyl]methanol?
The InChIKey is BRQFIORUNWWNBM-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21NO/c16-11-13-8-4-5-9-14(13)15-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m0/s1.
What are the key properties of [(1R,2S)-2-(benzylamino)cyclohexyl]methanol?
[(1R,2S)-2-(benzylamino)cyclohexyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(benzylamino)cyclohexyl]methanol is sourced from PubChem (CID 853687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).