methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate

C19H21NO2 — CID 94014303

IUPACmethyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(N[C@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C19H21NO2/c1-22-19(21)12-14-5-4-8-17(11-14)20-18-10-9-15-6-2-3-7-16(15)13-18/h2-8,11,18,20H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyKHGGFPIVZYCFEQ-SFHVURJKSA-N
MW295.38 g/mol
LogP3.37
Rot. Bonds4

About methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate

methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate (PubChem CID 94014303) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate
PubChem CID94014303
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(N[C@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C19H21NO2/c1-22-19(21)12-14-5-4-8-17(11-14)20-18-10-9-15-6-2-3-7-16(15)13-18/h2-8,11,18,20H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyKHGGFPIVZYCFEQ-SFHVURJKSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate (CID 94014303) is methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate is COC(=O)Cc1cccc(N[C@H]2CCc3ccccc3C2)c1.
What is the InChIKey of methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate?
The InChIKey is KHGGFPIVZYCFEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-19(21)12-14-5-4-8-17(11-14)20-18-10-9-15-6-2-3-7-16(15)13-18/h2-8,11,18,20H,9-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate?
methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate has a molecular weight of 295.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate is sourced from PubChem (CID 94014303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).