2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine

C16H22N2O2 — CID 170886567

IUPAC2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
SMILESCOc1c(CCN)ccc2c(OC)c(CCN)ccc12
InChIInChI=1S/C16H22N2O2/c1-19-15-11(7-9-17)3-6-14-13(15)5-4-12(8-10-18)16(14)20-2/h3-6H,7-10,17-18H2,1-2H3
InChIKeyZFXRQYABANJABI-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.86
Rot. Bonds6

About 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine

2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine (PubChem CID 170886567) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
PubChem CID170886567
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
SMILESCOc1c(CCN)ccc2c(OC)c(CCN)ccc12
InChIInChI=1S/C16H22N2O2/c1-19-15-11(7-9-17)3-6-14-13(15)5-4-12(8-10-18)16(14)20-2/h3-6H,7-10,17-18H2,1-2H3
InChIKeyZFXRQYABANJABI-UHFFFAOYSA-N
XLogP1.86
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298510
2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
CID 117320406
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
CID 59994575
2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 117282550
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161
2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
CID 117287338
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370209
2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 84674503
2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine
CID 173196682
2-(6-methoxy-1-benzoselenophen-3-yl)ethanamine
CID 168957091
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine?
The IUPAC name of 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine (CID 170886567) is 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine?
The canonical SMILES for 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine is COc1c(CCN)ccc2c(OC)c(CCN)ccc12.
What is the InChIKey of 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine?
The InChIKey is ZFXRQYABANJABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-15-11(7-9-17)3-6-14-13(15)5-4-12(8-10-18)16(14)20-2/h3-6H,7-10,17-18H2,1-2H3.
What are the key properties of 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine?
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine is sourced from PubChem (CID 170886567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).