3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol

C22H25NO — CID 59570784

IUPAC3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol
SMILESCCN(CCC(O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C22H25NO/c1-2-23(17-18-8-4-3-5-9-18)15-14-22(24)21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16,22,24H,2,14-15,17H2,1H3
InChIKeyQRLWDWXKLGRTEC-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.79
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol

3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570784) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570784
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol
SMILESCCN(CCC(O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C22H25NO/c1-2-23(17-18-8-4-3-5-9-18)15-14-22(24)21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16,22,24H,2,14-15,17H2,1H3
InChIKeyQRLWDWXKLGRTEC-UHFFFAOYSA-N
XLogP4.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol (CID 59570784) is 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol is CCN(CCC(O)c1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is QRLWDWXKLGRTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-23(17-18-8-4-3-5-9-18)15-14-22(24)21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16,22,24H,2,14-15,17H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol?
3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).