ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate

C14H17NO2 — CID 10911403

IUPACethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC1C
InChIInChI=1S/C14H17NO2/c1-3-17-14(16)12-9(2)8-10-6-4-5-7-11(10)13(12)15/h4-7,9H,3,8,15H2,1-2H3
InChIKeyLKSLMZZEXSHSJD-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.11
Rot. Bonds2

About ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate

ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate (PubChem CID 10911403) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate
PubChem CID10911403
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nameethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC1C
InChIInChI=1S/C14H17NO2/c1-3-17-14(16)12-9(2)8-10-6-4-5-7-11(10)13(12)15/h4-7,9H,3,8,15H2,1-2H3
InChIKeyLKSLMZZEXSHSJD-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate (CID 10911403) is ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate is CCOC(=O)C1=C(N)c2ccccc2CC1C.
What is the InChIKey of ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate?
The InChIKey is LKSLMZZEXSHSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-17-14(16)12-9(2)8-10-6-4-5-7-11(10)13(12)15/h4-7,9H,3,8,15H2,1-2H3.
What are the key properties of ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate?
ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 10911403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).