ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

C14H20ClNO2 — CID 19386072

IUPACethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(c1)CCC(CN)C2.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-17-14(16)13-6-5-11-7-10(9-15)3-4-12(11)8-13;/h5-6,8,10H,2-4,7,9,15H2,1H3;1H
InChIKeyPFTRMJZSIKHLNK-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.35
Rot. Bonds3

About ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride

ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride (PubChem CID 19386072) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
PubChem CID19386072
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2c(c1)CCC(CN)C2.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-17-14(16)13-6-5-11-7-10(9-15)3-4-12(11)8-13;/h5-6,8,10H,2-4,7,9,15H2,1H3;1H
InChIKeyPFTRMJZSIKHLNK-UHFFFAOYSA-N
XLogP2.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
(4-cyanocyclohexyl) 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 57203701
ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66825773
ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 70049815
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
6-(carboxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22118655
ethyl 4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2-carboxylate
CID 142943737
ethyl 1-imino-2,3-dihydroindene-5-carboxylate
CID 89172914
ethyl 2-[6-(2-amino-2-oxoethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 175492620

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride (CID 19386072) is ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride is CCOC(=O)c1ccc2c(c1)CCC(CN)C2.Cl.
What is the InChIKey of ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
The InChIKey is PFTRMJZSIKHLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-2-17-14(16)13-6-5-11-7-10(9-15)3-4-12(11)8-13;/h5-6,8,10H,2-4,7,9,15H2,1H3;1H.
What are the key properties of ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride?
ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride is sourced from PubChem (CID 19386072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).