2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol

C20H26N2O2 — CID 10381745

IUPAC2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
SMILESOc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1O
InChIInChI=1S/C20H26N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-12,17-18,21-24H,3-4,9-10,13-14H2/t17-,18-/m1/s1
InChIKeyAUKMFZCZQNIMED-QZTJIDSGSA-N
MW326.44 g/mol
LogP3.29
Rot. Bonds6

About 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol

2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol (PubChem CID 10381745) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
PubChem CID10381745
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
SMILESOc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1O
InChIInChI=1S/C20H26N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-12,17-18,21-24H,3-4,9-10,13-14H2/t17-,18-/m1/s1
InChIKeyAUKMFZCZQNIMED-QZTJIDSGSA-N
XLogP3.29
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol?
The IUPAC name of 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol (CID 10381745) is 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol is Oc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1O.
What is the InChIKey of 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol?
The InChIKey is AUKMFZCZQNIMED-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-2,5-8,11-12,17-18,21-24H,3-4,9-10,13-14H2/t17-,18-/m1/s1.
What are the key properties of 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol?
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol has a molecular weight of 326.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol is sourced from PubChem (CID 10381745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).