2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one

C12H14BrNO — CID 84640610

IUPAC2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCC1(C)CC(N)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C12H14BrNO/c1-12(2)6-10(14)11(15)8-5-7(13)3-4-9(8)12/h3-5,10H,6,14H2,1-2H3
InChIKeyIPDFAJYIWMUNBM-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.64
Rot. Bonds

About 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one

2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 84640610) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID84640610
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCC1(C)CC(N)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C12H14BrNO/c1-12(2)6-10(14)11(15)8-5-7(13)3-4-9(8)12/h3-5,10H,6,14H2,1-2H3
InChIKeyIPDFAJYIWMUNBM-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride
CID 54602990
3-amino-6-bromo-2,3-dihydrochromen-4-one
CID 71390958
(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837956
7-bromo-2-(dimethylaminomethylidene)-4,4-dimethyl-3H-naphthalen-1-one
CID 54499303
(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
CID 86316397
5,10-dibromopentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione
CID 130399684
3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine
CID 19365901
4-bromo-4'-methylspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,1'-cyclohexane]-7-one
CID 129192979
3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
CID 22312377
4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one
CID 84632031
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
CID 84644376

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one (CID 84640610) is 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one is CC1(C)CC(N)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is IPDFAJYIWMUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-12(2)6-10(14)11(15)8-5-7(13)3-4-9(8)12/h3-5,10H,6,14H2,1-2H3.
What are the key properties of 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 268.15 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 84640610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).