ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate

C14H18BrNO2 — CID 79849161

IUPACethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate
SMILESCCOC(=O)CC1(N)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H18BrNO2/c1-2-18-13(17)9-14(16)6-5-10-7-12(15)4-3-11(10)8-14/h3-4,7H,2,5-6,8-9,16H2,1H3
InChIKeyQAIBIKNMPUUMAQ-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.59
Rot. Bonds3

About ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate

ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate (PubChem CID 79849161) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate
PubChem CID79849161
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Nameethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate
SMILESCCOC(=O)CC1(N)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H18BrNO2/c1-2-18-13(17)9-14(16)6-5-10-7-12(15)4-3-11(10)8-14/h3-4,7H,2,5-6,8-9,16H2,1H3
InChIKeyQAIBIKNMPUUMAQ-UHFFFAOYSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63632055
6-bromo-2-ethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115616483
ethyl 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630637
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 57352291
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
2-[2-(1-aminoethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 66099185
ethyl 2-(7-bromo-9,10-dihydrophenanthren-2-yl)acetate
CID 71265392
methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58466875
ethyl 6-bromo-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylate
CID 105360270
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63632383

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate?
The IUPAC name of ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate (CID 79849161) is ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate is CCOC(=O)CC1(N)CCc2cc(Br)ccc2C1.
What is the InChIKey of ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate?
The InChIKey is QAIBIKNMPUUMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-2-18-13(17)9-14(16)6-5-10-7-12(15)4-3-11(10)8-14/h3-4,7H,2,5-6,8-9,16H2,1H3.
What are the key properties of ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate?
ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate has a molecular weight of 312.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate is sourced from PubChem (CID 79849161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).