4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid

C17H17NO2 — CID 82541831

IUPAC4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
SMILESNC1CCCc2ccc(-c3ccc(C(=O)O)cc3)cc21
InChIInChI=1S/C17H17NO2/c18-16-3-1-2-12-6-9-14(10-15(12)16)11-4-7-13(8-5-11)17(19)20/h4-10,16H,1-3,18H2,(H,19,20)
InChIKeyFRSMCVKHKIERNU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.39
Rot. Bonds2

About 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid

4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid (PubChem CID 82541831) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
PubChem CID82541831
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
SMILESNC1CCCc2ccc(-c3ccc(C(=O)O)cc3)cc21
InChIInChI=1S/C17H17NO2/c18-16-3-1-2-12-6-9-14(10-15(12)16)11-4-7-13(8-5-11)17(19)20/h4-10,16H,1-3,18H2,(H,19,20)
InChIKeyFRSMCVKHKIERNU-UHFFFAOYSA-N
XLogP3.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;chloromethane
CID 159655491
7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82542063
7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82542217
7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541502
2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543452
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 130615296
3-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid
CID 82540277
1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
CID 90845496
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823

Frequently Asked Questions

What is the IUPAC name of 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid?
The IUPAC name of 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid (CID 82541831) is 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid.
What is the SMILES notation for 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid?
The canonical SMILES for 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid is NC1CCCc2ccc(-c3ccc(C(=O)O)cc3)cc21.
What is the InChIKey of 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid?
The InChIKey is FRSMCVKHKIERNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c18-16-3-1-2-12-6-9-14(10-15(12)16)11-4-7-13(8-5-11)17(19)20/h4-10,16H,1-3,18H2,(H,19,20).
What are the key properties of 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid?
4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid is sourced from PubChem (CID 82541831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).