(6-bromo-1-methylnaphthalen-2-yl)methanamine

C12H12BrN — CID 115057582

IUPAC(6-bromo-1-methylnaphthalen-2-yl)methanamine
SMILESCc1c(CN)ccc2cc(Br)ccc12
InChIInChI=1S/C12H12BrN/c1-8-10(7-14)3-2-9-6-11(13)4-5-12(8)9/h2-6H,7,14H2,1H3
InChIKeyOOPBNZSIAMKEHZ-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.37
Rot. Bonds1

About (6-bromo-1-methylnaphthalen-2-yl)methanamine

(6-bromo-1-methylnaphthalen-2-yl)methanamine (PubChem CID 115057582) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is (6-bromo-1-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-1-methylnaphthalen-2-yl)methanamine
PubChem CID115057582
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name(6-bromo-1-methylnaphthalen-2-yl)methanamine
SMILESCc1c(CN)ccc2cc(Br)ccc12
InChIInChI=1S/C12H12BrN/c1-8-10(7-14)3-2-9-6-11(13)4-5-12(8)9/h2-6H,7,14H2,1H3
InChIKeyOOPBNZSIAMKEHZ-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromo-3-methylnaphthalen-2-yl)methanamine
CID 20595135
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
(7-bromo-3-methylisoquinolin-1-yl)methanamine
CID 84707384
6-bromo-1-methylnaphthalene-2-carboxylic acid
CID 53420865
6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 158239097
[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
CID 107105947
6-bromo-2-methylphenanthrene
CID 15159136
(4-bromo-2-ethylphenyl)methanamine;ethane
CID 143720701
(7-bromo-1-phenylnaphthalen-2-yl)methanamine
CID 115057609
[5-bromo-2-(methylsulfonylmethyl)phenyl]methanamine
CID 130559975
6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
CID 70197174

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-methylnaphthalen-2-yl)methanamine?
The IUPAC name of (6-bromo-1-methylnaphthalen-2-yl)methanamine (CID 115057582) is (6-bromo-1-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (6-bromo-1-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for (6-bromo-1-methylnaphthalen-2-yl)methanamine is Cc1c(CN)ccc2cc(Br)ccc12.
What is the InChIKey of (6-bromo-1-methylnaphthalen-2-yl)methanamine?
The InChIKey is OOPBNZSIAMKEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-8-10(7-14)3-2-9-6-11(13)4-5-12(8)9/h2-6H,7,14H2,1H3.
What are the key properties of (6-bromo-1-methylnaphthalen-2-yl)methanamine?
(6-bromo-1-methylnaphthalen-2-yl)methanamine has a molecular weight of 250.14 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).