2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine

C26H28N2O2 — CID 170886487

IUPAC2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine
SMILESCOc1c(CCN)cc2ccccc2c1-c1c(OC)c(CCN)cc2ccccc12
InChIInChI=1S/C26H28N2O2/c1-29-25-19(11-13-27)15-17-7-3-5-9-21(17)23(25)24-22-10-6-4-8-18(22)16-20(12-14-28)26(24)30-2/h3-10,15-16H,11-14,27-28H2,1-2H3
InChIKeyOBQXQUFGJRRIPV-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.68
Rot. Bonds7

About 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine

2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine (PubChem CID 170886487) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine
PubChem CID170886487
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine
SMILESCOc1c(CCN)cc2ccccc2c1-c1c(OC)c(CCN)cc2ccccc12
InChIInChI=1S/C26H28N2O2/c1-29-25-19(11-13-27)15-17-7-3-5-9-21(17)23(25)24-22-10-6-4-8-18(22)16-20(12-14-28)26(24)30-2/h3-10,15-16H,11-14,27-28H2,1-2H3
InChIKeyOBQXQUFGJRRIPV-UHFFFAOYSA-N
XLogP4.68
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
2-[3-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 170886565
2-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]ethanamine
CID 101269623
2-(3-phenylnaphthalen-1-yl)ethanamine
CID 22133309
[benzylsulfanyl-[[4-[3-[[[benzylsulfanyl(methylazaniumylidene)methyl]amino]methyl]-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]methylamino]methylidene]-methylazanium
CID 101192603
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087
2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine
CID 39226750
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
CID 58780214

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine?
The IUPAC name of 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine (CID 170886487) is 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine is COc1c(CCN)cc2ccccc2c1-c1c(OC)c(CCN)cc2ccccc12.
What is the InChIKey of 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine?
The InChIKey is OBQXQUFGJRRIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-29-25-19(11-13-27)15-17-7-3-5-9-21(17)23(25)24-22-10-6-4-8-18(22)16-20(12-14-28)26(24)30-2/h3-10,15-16H,11-14,27-28H2,1-2H3.
What are the key properties of 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine?
2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine has a molecular weight of 400.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine is sourced from PubChem (CID 170886487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).