(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine

C12H16BrN — CID 84729237

IUPAC(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
SMILESCC1(CN)CCCc2cccc(Br)c21
InChIInChI=1S/C12H16BrN/c1-12(8-14)7-3-5-9-4-2-6-10(13)11(9)12/h2,4,6H,3,5,7-8,14H2,1H3
InChIKeySIKNUIQUOBIGQW-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.00
Rot. Bonds1

About (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine

(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine (PubChem CID 84729237) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
PubChem CID84729237
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
SMILESCC1(CN)CCCc2cccc(Br)c21
InChIInChI=1S/C12H16BrN/c1-12(8-14)7-3-5-9-4-2-6-10(13)11(9)12/h2,4,6H,3,5,7-8,14H2,1H3
InChIKeySIKNUIQUOBIGQW-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728034
(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728033
8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010739
8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 115042448
[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397
ethyl 4-hydroxy-3-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3-carboxylate
CID 10849058
6-bromo-4,4-dimethyl-2,3-dihydro-1H-chrysene
CID 174612552
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene
CID 84721040
(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine;hydrochloride
CID 167717873
[(8R)-8-methyl-6,7-dihydro-5H-quinolin-8-yl]methanol
CID 154608477

Frequently Asked Questions

What is the IUPAC name of (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine?
The IUPAC name of (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine (CID 84729237) is (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine.
What is the SMILES notation for (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine?
The canonical SMILES for (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine is CC1(CN)CCCc2cccc(Br)c21.
What is the InChIKey of (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine?
The InChIKey is SIKNUIQUOBIGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-12(8-14)7-3-5-9-4-2-6-10(13)11(9)12/h2,4,6H,3,5,7-8,14H2,1H3.
What are the key properties of (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine?
(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine has a molecular weight of 254.17 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine is sourced from PubChem (CID 84729237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).