1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone

C12H15NO — CID 53402832

IUPAC1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
SMILESCC(=O)c1ccc(N)c2c1CCCC2
InChIInChI=1S/C12H15NO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h6-7H,2-5,13H2,1H3
InChIKeyHDNBHPRNBAZCOW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.35
Rot. Bonds1

About 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone

1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone (PubChem CID 53402832) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
PubChem CID53402832
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
SMILESCC(=O)c1ccc(N)c2c1CCCC2
InChIInChI=1S/C12H15NO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h6-7H,2-5,13H2,1H3
InChIKeyHDNBHPRNBAZCOW-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[7-(1-methoxyethenyl)-2,3-dihydro-1H-inden-4-yl]ethanone
CID 126484592
bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
CID 54033082
1-(6-aminopyren-1-yl)ethanone
CID 71370113
methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 11521576
1-[4-amino-2-(difluoromethyl)-3-methylphenyl]ethanone
CID 170996734
4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 20633114
4-acetyl-3-aminobenzamide
CID 171538072
1-(7-methylspiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl)ethanone
CID 118314357
(Z)-1-[4-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]but-2-en-1-one
CID 89203299
ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859
7-amino-2,3-dihydro-1H-indene-4-sulfonic acid
CID 12683823
1-(3-acetyl-4-amino-2-methylsulfanylphenyl)ethanone
CID 67659453

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone?
The IUPAC name of 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone (CID 53402832) is 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone is CC(=O)c1ccc(N)c2c1CCCC2.
What is the InChIKey of 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone?
The InChIKey is HDNBHPRNBAZCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h6-7H,2-5,13H2,1H3.
What are the key properties of 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone?
1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone is sourced from PubChem (CID 53402832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).