2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride

C13H18ClNO3 — CID 19888707

IUPAC2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride
SMILESCl.NCC1CCc2ccc(OCC(=O)O)cc2C1
InChIInChI=1S/C13H17NO3.ClH/c14-7-9-1-2-10-3-4-12(6-11(10)5-9)17-8-13(15)16;/h3-4,6,9H,1-2,5,7-8,14H2,(H,15,16);1H
InChIKeyXAVUYZHOFNGMNG-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.64
Rot. Bonds4

About 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride

2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride (PubChem CID 19888707) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride
PubChem CID19888707
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride
SMILESCl.NCC1CCc2ccc(OCC(=O)O)cc2C1
InChIInChI=1S/C13H17NO3.ClH/c14-7-9-1-2-10-3-4-12(6-11(10)5-9)17-8-13(15)16;/h3-4,6,9H,1-2,5,7-8,14H2,(H,15,16);1H
InChIKeyXAVUYZHOFNGMNG-UHFFFAOYSA-N
XLogP1.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride with MolForge

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Related Compounds

2-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15718602
6-(carboxymethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406815
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
2-[[7-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 15718634
2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
2-[[6-(benzylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetic acid
CID 18007434
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
ethyl 2-[[(7S)-7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 54442037
methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
CID 86744373
ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386072
ethyl 2-[(7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate
CID 167218753

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride?
The IUPAC name of 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride (CID 19888707) is 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride is Cl.NCC1CCc2ccc(OCC(=O)O)cc2C1.
What is the InChIKey of 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride?
The InChIKey is XAVUYZHOFNGMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c14-7-9-1-2-10-3-4-12(6-11(10)5-9)17-8-13(15)16;/h3-4,6,9H,1-2,5,7-8,14H2,(H,15,16);1H.
What are the key properties of 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride?
2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid;hydrochloride is sourced from PubChem (CID 19888707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).