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

C14H21NO — CID 853690

IUPAC[(1S,2R)-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-/m1/s1
InChIKeyBRQFIORUNWWNBM-ZIAGYGMSSA-N
MW219.33 g/mol
LogP2.33
Rot. Bonds4

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

[(1S,2R)-2-(benzylamino)cyclohexyl]methanol (PubChem CID 853690) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [(1S,2R)-2-(benzylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-(benzylamino)cyclohexyl]methanol
PubChem CID853690
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[(1S,2R)-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-/m1/s1
InChIKeyBRQFIORUNWWNBM-ZIAGYGMSSA-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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Related Compounds

(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
3-(Benzylamino)propanol
CID 78448
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
Threo-ritalinol hydrochloride
CID 10726933
1-Propanol, 3-amino-3-phenyl-
CID 203500
N-Benzyl-L-alaninol
CID 5356540
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(+)-cis-2-Benzylaminocyclohexanemethanol
CID 853687
(2S)-2-(benzylamino)butan-1-ol
CID 927305
4-Benzylamino-1-Butanol
CID 1790018
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(benzylamino)cyclohexyl]methanol?
The IUPAC name of [(1S,2R)-2-(benzylamino)cyclohexyl]methanol (CID 853690) is [(1S,2R)-2-(benzylamino)cyclohexyl]methanol.
What is the SMILES notation for [(1S,2R)-2-(benzylamino)cyclohexyl]methanol?
The canonical SMILES for [(1S,2R)-2-(benzylamino)cyclohexyl]methanol is OC[C@H]1CCCC[C@H]1NCc1ccccc1.
What is the InChIKey of [(1S,2R)-2-(benzylamino)cyclohexyl]methanol?
The InChIKey is BRQFIORUNWWNBM-ZIAGYGMSSA-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-/m1/s1.
What are the key properties of [(1S,2R)-2-(benzylamino)cyclohexyl]methanol?
[(1S,2R)-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 [(1S,2R)-2-(benzylamino)cyclohexyl]methanol is sourced from PubChem (CID 853690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).