methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate

C14H19NO2 — CID 63771406

IUPACmethyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
SMILESCOC(=O)CNCC1CCCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-17-14(16)10-15-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8,12,15H,4,6-7,9-10H2,1H3
InChIKeyNCGQGGRGQIFBPJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds4

About methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate

methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate (PubChem CID 63771406) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
PubChem CID63771406
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
SMILESCOC(=O)CNCC1CCCc2ccccc21
InChIInChI=1S/C14H19NO2/c1-17-14(16)10-15-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8,12,15H,4,6-7,9-10H2,1H3
InChIKeyNCGQGGRGQIFBPJ-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
CID 63770956
N-[(2-ethylphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 64681155
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
N-[(2-methoxyphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 60733536
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
CID 107851787
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propanamide
CID 46568284

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate?
The IUPAC name of methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate (CID 63771406) is methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate is COC(=O)CNCC1CCCc2ccccc21.
What is the InChIKey of methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate?
The InChIKey is NCGQGGRGQIFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)10-15-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8,12,15H,4,6-7,9-10H2,1H3.
What are the key properties of methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate?
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate has a molecular weight of 233.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate is sourced from PubChem (CID 63771406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).