ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate

C15H21NO2 — CID 174154255

IUPACethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
SMILESCCOC(=O)CC1(N)CCCc2ccc(C)cc21
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)10-15(16)8-4-5-12-7-6-11(2)9-13(12)15/h6-7,9H,3-5,8,10,16H2,1-2H3
InChIKeyOUDPTYPWOBTUEZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.44
Rot. Bonds3

About ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate

ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate (PubChem CID 174154255) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
PubChem CID174154255
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
SMILESCCOC(=O)CC1(N)CCCc2ccc(C)cc21
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)10-15(16)8-4-5-12-7-6-11(2)9-13(12)15/h6-7,9H,3-5,8,10,16H2,1-2H3
InChIKeyOUDPTYPWOBTUEZ-UHFFFAOYSA-N
XLogP2.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The IUPAC name of ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate (CID 174154255) is ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate.
What is the SMILES notation for ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The canonical SMILES for ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate is CCOC(=O)CC1(N)CCCc2ccc(C)cc21.
What is the InChIKey of ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The InChIKey is OUDPTYPWOBTUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-14(17)10-15(16)8-4-5-12-7-6-11(2)9-13(12)15/h6-7,9H,3-5,8,10,16H2,1-2H3.
What are the key properties of ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate has a molecular weight of 247.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-amino-7-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate is sourced from PubChem (CID 174154255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).