ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate

C15H19NO2 — CID 15758044

IUPACethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC1(C)C
InChIInChI=1S/C15H19NO2/c1-4-18-14(17)12-13(16)11-8-6-5-7-10(11)9-15(12,2)3/h5-8H,4,9,16H2,1-3H3
InChIKeyJVFMHCNPQSGNKH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.50
Rot. Bonds2

About ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate

ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate (PubChem CID 15758044) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate
PubChem CID15758044
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC1(C)C
InChIInChI=1S/C15H19NO2/c1-4-18-14(17)12-13(16)11-8-6-5-7-10(11)9-15(12,2)3/h5-8H,4,9,16H2,1-3H3
InChIKeyJVFMHCNPQSGNKH-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate?
The IUPAC name of ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate (CID 15758044) is ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate?
The canonical SMILES for ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate is CCOC(=O)C1=C(N)c2ccccc2CC1(C)C.
What is the InChIKey of ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate?
The InChIKey is JVFMHCNPQSGNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-18-14(17)12-13(16)11-8-6-5-7-10(11)9-15(12,2)3/h5-8H,4,9,16H2,1-3H3.
What are the key properties of ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate?
ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3,3-dimethyl-4H-naphthalene-2-carboxylate is sourced from PubChem (CID 15758044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).