(3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium

C20H22NO+ — CID 163635484

IUPAC(3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium
SMILESCOc1cccc(C[NH2+]C(C)c2cccc3ccccc23)c1
InChIInChI=1S/C20H21NO/c1-15(21-14-16-7-5-10-18(13-16)22-2)19-12-6-9-17-8-3-4-11-20(17)19/h3-13,15,21H,14H2,1-2H3/p+1
InChIKeyHZSJMWCMRDUGNZ-UHFFFAOYSA-O
MW292.40 g/mol
LogP3.67
Rot. Bonds5

About (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium

(3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium (PubChem CID 163635484) has the molecular formula C20H22NO+ and a molecular weight of 292.40 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium
PubChem CID163635484
Molecular FormulaC20H22NO+
Molecular Weight292.40 g/mol
Exact Mass292.17
IUPAC Name(3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium
SMILESCOc1cccc(C[NH2+]C(C)c2cccc3ccccc23)c1
InChIInChI=1S/C20H21NO/c1-15(21-14-16-7-5-10-18(13-16)22-2)19-12-6-9-17-8-3-4-11-20(17)19/h3-13,15,21H,14H2,1-2H3/p+1
InChIKeyHZSJMWCMRDUGNZ-UHFFFAOYSA-O
XLogP3.67
TPSA25.84 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium?
The IUPAC name of (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium (CID 163635484) is (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium?
The canonical SMILES for (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium is COc1cccc(C[NH2+]C(C)c2cccc3ccccc23)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium?
The InChIKey is HZSJMWCMRDUGNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21NO/c1-15(21-14-16-7-5-10-18(13-16)22-2)19-12-6-9-17-8-3-4-11-20(17)19/h3-13,15,21H,14H2,1-2H3/p+1.
What are the key properties of (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium?
(3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium has a molecular weight of 292.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium is sourced from PubChem (CID 163635484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).