benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium

C27H28NO+ — CID 2244865

IUPACbenzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium
SMILESCOc1ccc(C[NH+](CCc2ccccc2)Cc2ccccc2)c2ccccc12
InChIInChI=1S/C27H27NO/c1-29-27-17-16-24(25-14-8-9-15-26(25)27)21-28(20-23-12-6-3-7-13-23)19-18-22-10-4-2-5-11-22/h2-17H,18-21H2,1H3/p+1
InChIKeyCWTBQKFYOZWWMK-UHFFFAOYSA-O
MW382.53 g/mol
LogP4.68
Rot. Bonds8

About benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium

benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium (PubChem CID 2244865) has the molecular formula C27H28NO+ and a molecular weight of 382.53 g/mol. Its IUPAC name is benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium.

Molecular Properties

Compound Namebenzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium
PubChem CID2244865
Molecular FormulaC27H28NO+
Molecular Weight382.53 g/mol
Exact Mass382.22
IUPAC Namebenzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium
SMILESCOc1ccc(C[NH+](CCc2ccccc2)Cc2ccccc2)c2ccccc12
InChIInChI=1S/C27H27NO/c1-29-27-17-16-24(25-14-8-9-15-26(25)27)21-28(20-23-12-6-3-7-13-23)19-18-22-10-4-2-5-11-22/h2-17H,18-21H2,1H3/p+1
InChIKeyCWTBQKFYOZWWMK-UHFFFAOYSA-O
XLogP4.68
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium?
The IUPAC name of benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium (CID 2244865) is benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium.
What is the SMILES notation for benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium?
The canonical SMILES for benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium is COc1ccc(C[NH+](CCc2ccccc2)Cc2ccccc2)c2ccccc12.
What is the InChIKey of benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium?
The InChIKey is CWTBQKFYOZWWMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H27NO/c1-29-27-17-16-24(25-14-8-9-15-26(25)27)21-28(20-23-12-6-3-7-13-23)19-18-22-10-4-2-5-11-22/h2-17H,18-21H2,1H3/p+1.
What are the key properties of benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium?
benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium has a molecular weight of 382.53 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(4-methoxynaphthalen-1-yl)methyl]-(2-phenylethyl)azanium is sourced from PubChem (CID 2244865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).