2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol

C20H26N2O — CID 154933091

IUPAC2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol
SMILESCN(C)C1(c2ccccc2)CCC[C@@H](Nc2ccccc2O)C1
InChIInChI=1S/C20H26N2O/c1-22(2)20(16-9-4-3-5-10-16)14-8-11-17(15-20)21-18-12-6-7-13-19(18)23/h3-7,9-10,12-13,17,21,23H,8,11,14-15H2,1-2H3/t17-,20?/m1/s1
InChIKeyNBCDPQVVZKNLPG-DIAVIDTQSA-N
MW310.44 g/mol
LogP4.20
Rot. Bonds4

About 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol

2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol (PubChem CID 154933091) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol.

Molecular Properties

Compound Name2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol
PubChem CID154933091
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol
SMILESCN(C)C1(c2ccccc2)CCC[C@@H](Nc2ccccc2O)C1
InChIInChI=1S/C20H26N2O/c1-22(2)20(16-9-4-3-5-10-16)14-8-11-17(15-20)21-18-12-6-7-13-19(18)23/h3-7,9-10,12-13,17,21,23H,8,11,14-15H2,1-2H3/t17-,20?/m1/s1
InChIKeyNBCDPQVVZKNLPG-DIAVIDTQSA-N
XLogP4.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol?
The IUPAC name of 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol (CID 154933091) is 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol.
What is the SMILES notation for 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol?
The canonical SMILES for 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol is CN(C)C1(c2ccccc2)CCC[C@@H](Nc2ccccc2O)C1.
What is the InChIKey of 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol?
The InChIKey is NBCDPQVVZKNLPG-DIAVIDTQSA-N. The full InChI is InChI=1S/C20H26N2O/c1-22(2)20(16-9-4-3-5-10-16)14-8-11-17(15-20)21-18-12-6-7-13-19(18)23/h3-7,9-10,12-13,17,21,23H,8,11,14-15H2,1-2H3/t17-,20?/m1/s1.
What are the key properties of 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol?
2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol has a molecular weight of 310.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-3-(dimethylamino)-3-phenylcyclohexyl]amino]phenol is sourced from PubChem (CID 154933091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).