3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol

C13H19NO2 — CID 10220107

IUPAC3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol
SMILESNC[C@H]1CCCC[C@]1(O)c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c14-9-11-4-1-2-7-13(11,16)10-5-3-6-12(15)8-10/h3,5-6,8,11,15-16H,1-2,4,7,9,14H2/t11-,13+/m1/s1
InChIKeyMJTYLDGVLFSXDG-YPMHNXCESA-N
MW221.30 g/mol
LogP1.73
Rot. Bonds2

About 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol

3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol (PubChem CID 10220107) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol.

Molecular Properties

Compound Name3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol
PubChem CID10220107
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol
SMILESNC[C@H]1CCCC[C@]1(O)c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c14-9-11-4-1-2-7-13(11,16)10-5-3-6-12(15)8-10/h3,5-6,8,11,15-16H,1-2,4,7,9,14H2/t11-,13+/m1/s1
InChIKeyMJTYLDGVLFSXDG-YPMHNXCESA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol?
The IUPAC name of 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol (CID 10220107) is 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol.
What is the SMILES notation for 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol?
The canonical SMILES for 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol is NC[C@H]1CCCC[C@]1(O)c1cccc(O)c1.
What is the InChIKey of 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol?
The InChIKey is MJTYLDGVLFSXDG-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19NO2/c14-9-11-4-1-2-7-13(11,16)10-5-3-6-12(15)8-10/h3,5-6,8,11,15-16H,1-2,4,7,9,14H2/t11-,13+/m1/s1.
What are the key properties of 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol?
3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-(aminomethyl)-1-hydroxycyclohexyl]phenol is sourced from PubChem (CID 10220107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).