naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

C21H24NO3+ — CID 7452688

IUPACnaphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C21H23NO3/c1-23-19-11-15(12-20(24-2)21(19)25-3)13-22-14-17-9-6-8-16-7-4-5-10-18(16)17/h4-12,22H,13-14H2,1-3H3/p+1
InChIKeyLDGLROHFOYNQJH-UHFFFAOYSA-O
MW338.43 g/mol
LogP3.13
Rot. Bonds7

About naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium (PubChem CID 7452688) has the molecular formula C21H24NO3+ and a molecular weight of 338.43 g/mol. Its IUPAC name is naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
PubChem CID7452688
Molecular FormulaC21H24NO3+
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Namenaphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C21H23NO3/c1-23-19-11-15(12-20(24-2)21(19)25-3)13-22-14-17-9-6-8-16-7-4-5-10-18(16)17/h4-12,22H,13-14H2,1-3H3/p+1
InChIKeyLDGLROHFOYNQJH-UHFFFAOYSA-O
XLogP3.13
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(naphthalen-1-ylmethyl)azanium
CID 4663788
(2,5-difluorophenyl)methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 3490601
naphthalen-1-ylmethyl-[2-[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethylazaniumyl]ethyl]azanium tetrachloride
CID 11766965
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907
(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
CID 7452788
2-methyl-1-(2-naphthalen-1-ylethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376687
(9-ethylcarbazol-3-yl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 2250649
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 18111559
naphthalen-1-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8779641
2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
CID 44609839
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
2-(3,4-dimethoxyphenyl)ethyl-methyl-(naphthalen-1-ylmethyl)azanium
CID 2227478

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The IUPAC name of naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium (CID 7452688) is naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium.
What is the SMILES notation for naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The canonical SMILES for naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium is COc1cc(C[NH2+]Cc2cccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
The InChIKey is LDGLROHFOYNQJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23NO3/c1-23-19-11-15(12-20(24-2)21(19)25-3)13-22-14-17-9-6-8-16-7-4-5-10-18(16)17/h4-12,22H,13-14H2,1-3H3/p+1.
What are the key properties of naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium?
naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium has a molecular weight of 338.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7452688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).