N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine

C20H21NO — CID 1328538

IUPACN-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine
SMILESCN(CCOc1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C20H21NO/c1-21(16-17-8-3-2-4-9-17)14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-16H2,1H3
InChIKeyPYOZLIGGCNJDPX-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.35
Rot. Bonds6

About N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine

N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine (PubChem CID 1328538) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine
PubChem CID1328538
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC NameN-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine
SMILESCN(CCOc1cccc2ccccc12)Cc1ccccc1
InChIInChI=1S/C20H21NO/c1-21(16-17-8-3-2-4-9-17)14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-16H2,1H3
InChIKeyPYOZLIGGCNJDPX-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine?
The IUPAC name of N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine (CID 1328538) is N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine is CN(CCOc1cccc2ccccc12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine?
The InChIKey is PYOZLIGGCNJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-21(16-17-8-3-2-4-9-17)14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine?
N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine has a molecular weight of 291.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-naphthalen-1-yloxyethanamine is sourced from PubChem (CID 1328538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).