[2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol

C21H23NO — CID 86288291

IUPAC[2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol
SMILESCNCC(Cc1ccccc1CO)c1ccc2ccccc2c1
InChIInChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3
InChIKeyBUZAYDYQPINNKR-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.88
Rot. Bonds6

About [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol

[2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol (PubChem CID 86288291) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol
PubChem CID86288291
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name[2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol
SMILESCNCC(Cc1ccccc1CO)c1ccc2ccccc2c1
InChIInChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3
InChIKeyBUZAYDYQPINNKR-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol 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-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol?
The IUPAC name of [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol (CID 86288291) is [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol.
What is the SMILES notation for [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol?
The canonical SMILES for [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol is CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1.
What is the InChIKey of [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol?
The InChIKey is BUZAYDYQPINNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3.
What are the key properties of [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol?
[2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol has a molecular weight of 305.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylamino)-2-naphthalen-2-ylpropyl]phenyl]methanol is sourced from PubChem (CID 86288291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).