benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium

C20H22NO+ — CID 7322225

IUPACbenzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium
SMILESCOc1ccc2ccccc2c1C[NH+](C)Cc1ccccc1
InChIInChI=1S/C20H21NO/c1-21(14-16-8-4-3-5-9-16)15-19-18-11-7-6-10-17(18)12-13-20(19)22-2/h3-13H,14-15H2,1-2H3/p+1
InChIKeyBLGRNXFWLRYKEI-UHFFFAOYSA-O
MW292.40 g/mol
LogP3.06
Rot. Bonds5

About benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium

benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium (PubChem CID 7322225) has the molecular formula C20H22NO+ and a molecular weight of 292.40 g/mol. Its IUPAC name is benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium
PubChem CID7322225
Molecular FormulaC20H22NO+
Molecular Weight292.40 g/mol
Exact Mass292.17
IUPAC Namebenzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium
SMILESCOc1ccc2ccccc2c1C[NH+](C)Cc1ccccc1
InChIInChI=1S/C20H21NO/c1-21(14-16-8-4-3-5-9-16)15-19-18-11-7-6-10-17(18)12-13-20(19)22-2/h3-13H,14-15H2,1-2H3/p+1
InChIKeyBLGRNXFWLRYKEI-UHFFFAOYSA-O
XLogP3.06
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 3299087
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
(3-chlorophenyl)methyl-[(2-hydroxynaphthalen-1-yl)methyl]-methylazanium
CID 7480326
1-benzyl-2-ethoxynaphthalene
CID 12064074
2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium
CID 7322221
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
CID 83229536
1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719701
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium?
The IUPAC name of benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium (CID 7322225) is benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium.
What is the SMILES notation for benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium?
The canonical SMILES for benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium is COc1ccc2ccccc2c1C[NH+](C)Cc1ccccc1.
What is the InChIKey of benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium?
The InChIKey is BLGRNXFWLRYKEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21NO/c1-21(14-16-8-4-3-5-9-16)15-19-18-11-7-6-10-17(18)12-13-20(19)22-2/h3-13H,14-15H2,1-2H3/p+1.
What are the key properties of benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium?
benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium has a molecular weight of 292.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium is sourced from PubChem (CID 7322225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).