(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C12H16BrN — CID 84635120

IUPAC(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCC1Cc2c(Br)cccc2C(CN)C1
InChIInChI=1S/C12H16BrN/c1-8-5-9(7-14)10-3-2-4-12(13)11(10)6-8/h2-4,8-9H,5-7,14H2,1H3
InChIKeyCEWDSUJRPJXJGO-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.07
Rot. Bonds1

About (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 84635120) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID84635120
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESCC1Cc2c(Br)cccc2C(CN)C1
InChIInChI=1S/C12H16BrN/c1-8-5-9(7-14)10-3-2-4-12(13)11(10)6-8/h2-4,8-9H,5-7,14H2,1H3
InChIKeyCEWDSUJRPJXJGO-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620615
(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
CID 105465700
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]methanamine
CID 58681536
ethyl 2-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 131530657
2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 84623961
12-bromo-9-methyltricyclo[9.4.0.02,5]pentadeca-1(11),12,14-trien-7-one
CID 155072924
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 83693378
(8-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82387181
(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437
(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142027727
(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57031457

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 84635120) is (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is CC1Cc2c(Br)cccc2C(CN)C1.
What is the InChIKey of (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is CEWDSUJRPJXJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-5-9(7-14)10-3-2-4-12(13)11(10)6-8/h2-4,8-9H,5-7,14H2,1H3.
What are the key properties of (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 254.17 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 84635120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).