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

C21H23NO — CID 59570714

IUPAC3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol
SMILESCN(CCC(O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C21H23NO/c1-22(16-17-7-3-2-4-8-17)14-13-21(23)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15,21,23H,13-14,16H2,1H3
InChIKeyWJTHEQUMGQQMLH-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.40
Rot. Bonds6

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

3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570714) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570714
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol
SMILESCN(CCC(O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C21H23NO/c1-22(16-17-7-3-2-4-8-17)14-13-21(23)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15,21,23H,13-14,16H2,1H3
InChIKeyWJTHEQUMGQQMLH-UHFFFAOYSA-N
XLogP4.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol (CID 59570714) is 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol is CN(CCC(O)c1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is WJTHEQUMGQQMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-22(16-17-7-3-2-4-8-17)14-13-21(23)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15,21,23H,13-14,16H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol?
3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).