methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate

C18H19NO2 — CID 43774418

IUPACmethyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate
SMILESCOC(=O)c1cccc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C18H19NO2/c1-21-18(20)15-7-4-8-16(12-15)19-17-10-9-13-5-2-3-6-14(13)11-17/h2-8,12,17,19H,9-11H2,1H3
InChIKeyQJNVOTZRFRBGEK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.44
Rot. Bonds3

About methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate

methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate (PubChem CID 43774418) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate
PubChem CID43774418
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate
SMILESCOC(=O)c1cccc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C18H19NO2/c1-21-18(20)15-7-4-8-16(12-15)19-17-10-9-13-5-2-3-6-14(13)11-17/h2-8,12,17,19H,9-11H2,1H3
InChIKeyQJNVOTZRFRBGEK-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]acetate
CID 94014303
1-O-methyl 3-O-(1,2,3,4-tetrahydronaphthalene-2-carbonyl) benzene-1,3-dicarboxylate
CID 174466662
N-[3-(difluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43783705
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
CID 107681939
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
CID 62317637
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carboxamide
CID 60704921
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
CID 66457314
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
CID 43783999
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxalin-6-amine
CID 60943397
methyl 3-[(1-oxo-3,4-dihydro-2H-isoquinoline-3-carbonyl)amino]benzoate
CID 110690478
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43759178

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate?
The IUPAC name of methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate (CID 43774418) is methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate.
What is the SMILES notation for methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate?
The canonical SMILES for methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate is COC(=O)c1cccc(NC2CCc3ccccc3C2)c1.
What is the InChIKey of methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate?
The InChIKey is QJNVOTZRFRBGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-18(20)15-7-4-8-16(12-15)19-17-10-9-13-5-2-3-6-14(13)11-17/h2-8,12,17,19H,9-11H2,1H3.
What are the key properties of methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate?
methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate has a molecular weight of 281.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoate is sourced from PubChem (CID 43774418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).