ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate

C14H18BrNO2 — CID 63632055

IUPACethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCCOC(=O)C1(NC)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H18BrNO2/c1-3-18-13(17)14(16-2)7-6-10-8-12(15)5-4-11(10)9-14/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyGPHYZZJVVDFQAM-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.46
Rot. Bonds3

About ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate

ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 63632055) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID63632055
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Nameethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCCOC(=O)C1(NC)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H18BrNO2/c1-3-18-13(17)14(16-2)7-6-10-8-12(15)5-4-11(10)9-14/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyGPHYZZJVVDFQAM-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630637
ethyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 68667339
ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate
CID 79849161
methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630814
6-bromo-2-(propan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 63630625
methyl 6-bromo-2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63631176
6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 55249627
methyl 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63633254
6-bromo-2-ethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115616483
6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 63630990
ethyl 3-(4-bromoanilino)thiolane-3-carboxylate
CID 54890590
ethyl 2-acetamido-5,6-dibromo-1,3-dihydroindene-2-carboxylate
CID 12986070

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 63632055) is ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate is CCOC(=O)C1(NC)CCc2cc(Br)ccc2C1.
What is the InChIKey of ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is GPHYZZJVVDFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-18-13(17)14(16-2)7-6-10-8-12(15)5-4-11(10)9-14/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 312.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 63632055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).