2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol

C28H29NO — CID 10200742

IUPAC2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol
SMILESNC(C1CCCCC1)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C28H29NO/c29-27(22-10-2-1-3-11-22)28(30,25-16-14-20-8-4-6-12-23(20)18-25)26-17-15-21-9-5-7-13-24(21)19-26/h4-9,12-19,22,27,30H,1-3,10-11,29H2
InChIKeyMRRMOMJOHAGTBV-UHFFFAOYSA-N
MW395.55 g/mol
LogP6.14
Rot. Bonds4

About 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol

2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol (PubChem CID 10200742) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol
PubChem CID10200742
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol
SMILESNC(C1CCCCC1)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C28H29NO/c29-27(22-10-2-1-3-11-22)28(30,25-16-14-20-8-4-6-12-23(20)18-25)26-17-15-21-9-5-7-13-24(21)19-26/h4-9,12-19,22,27,30H,1-3,10-11,29H2
InChIKeyMRRMOMJOHAGTBV-UHFFFAOYSA-N
XLogP6.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol?
The IUPAC name of 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol (CID 10200742) is 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol.
What is the SMILES notation for 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol?
The canonical SMILES for 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol is NC(C1CCCCC1)C(O)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol?
The InChIKey is MRRMOMJOHAGTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO/c29-27(22-10-2-1-3-11-22)28(30,25-16-14-20-8-4-6-12-23(20)18-25)26-17-15-21-9-5-7-13-24(21)19-26/h4-9,12-19,22,27,30H,1-3,10-11,29H2.
What are the key properties of 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol?
2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol has a molecular weight of 395.55 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-1,1-dinaphthalen-2-ylethanol is sourced from PubChem (CID 10200742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).