(6-bromo-3-methylnaphthalen-2-yl)methanamine

C12H12BrN — CID 20595135

IUPAC(6-bromo-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(Br)ccc2cc1CN
InChIInChI=1S/C12H12BrN/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14/h2-6H,7,14H2,1H3
InChIKeyXXNVLHKHRSVWTB-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.37
Rot. Bonds1

About (6-bromo-3-methylnaphthalen-2-yl)methanamine

(6-bromo-3-methylnaphthalen-2-yl)methanamine (PubChem CID 20595135) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is (6-bromo-3-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-3-methylnaphthalen-2-yl)methanamine
PubChem CID20595135
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name(6-bromo-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(Br)ccc2cc1CN
InChIInChI=1S/C12H12BrN/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14/h2-6H,7,14H2,1H3
InChIKeyXXNVLHKHRSVWTB-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

(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
(6-bromo-1-methylnaphthalen-2-yl)methanamine
CID 115057582
[2-(6-bromonaphthalen-2-yl)oxy-3-methylphenyl]methanamine
CID 107105947
2,6-dibromonaphthalene
CID 640591
4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
CID 139210695
6-bromo-3-methylnaphthalene-2-carboxamide
CID 20595138
5-(aminomethyl)-2,4-dimethylaniline
CID 13465101
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
7-bromo-3-methylquinolin-2-amine
CID 17039635
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
7-bromo-3-methylquinolin-2-amine;hydrochloride
CID 43865982

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methylnaphthalen-2-yl)methanamine?
The IUPAC name of (6-bromo-3-methylnaphthalen-2-yl)methanamine (CID 20595135) is (6-bromo-3-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (6-bromo-3-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for (6-bromo-3-methylnaphthalen-2-yl)methanamine is Cc1cc2cc(Br)ccc2cc1CN.
What is the InChIKey of (6-bromo-3-methylnaphthalen-2-yl)methanamine?
The InChIKey is XXNVLHKHRSVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-8-4-10-6-12(13)3-2-9(10)5-11(8)7-14/h2-6H,7,14H2,1H3.
What are the key properties of (6-bromo-3-methylnaphthalen-2-yl)methanamine?
(6-bromo-3-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-3-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 20595135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).