2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol

C21H23NO2 — CID 44546739

IUPAC2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
SMILESCOc1cccc(CN(C)CC(O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H23NO2/c1-22(14-16-6-5-9-20(12-16)24-2)15-21(23)19-11-10-17-7-3-4-8-18(17)13-19/h3-13,21,23H,14-15H2,1-2H3
InChIKeyCDBXGAYTQIZSSK-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.01
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol

2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol (PubChem CID 44546739) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
PubChem CID44546739
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
SMILESCOc1cccc(CN(C)CC(O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H23NO2/c1-22(14-16-6-5-9-20(12-16)24-2)15-21(23)19-11-10-17-7-3-4-8-18(17)13-19/h3-13,21,23H,14-15H2,1-2H3
InChIKeyCDBXGAYTQIZSSK-UHFFFAOYSA-N
XLogP4.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol (CID 44546739) is 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol is COc1cccc(CN(C)CC(O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol?
The InChIKey is CDBXGAYTQIZSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22(14-16-6-5-9-20(12-16)24-2)15-21(23)19-11-10-17-7-3-4-8-18(17)13-19/h3-13,21,23H,14-15H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol?
2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol has a molecular weight of 321.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-methylamino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 44546739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).