(6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine

C12H11BrFN — CID 20595142

IUPAC(6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(Br)c(F)cc2cc1CN
InChIInChI=1S/C12H11BrFN/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-15/h2-5H,6,15H2,1H3
InChIKeyJLTAAEKEAWYIPU-UHFFFAOYSA-N
MW268.13 g/mol
LogP3.51
Rot. Bonds1

About (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine

(6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine (PubChem CID 20595142) has the molecular formula C12H11BrFN and a molecular weight of 268.13 g/mol. Its IUPAC name is (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine
PubChem CID20595142
Molecular FormulaC12H11BrFN
Molecular Weight268.13 g/mol
Exact Mass267.01
IUPAC Name(6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine
SMILESCc1cc2cc(Br)c(F)cc2cc1CN
InChIInChI=1S/C12H11BrFN/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-15/h2-5H,6,15H2,1H3
InChIKeyJLTAAEKEAWYIPU-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Bromonaphthalen-1-yl)methanamine hydrochloride
CID 17999125
(4-Bromo-2,6-dimethylphenyl)methanamine hydrochloride
CID 137935588
(4-Bromo-5-fluoro-2-methylphenyl)methanamine hydrochloride
CID 126796877
(4-Bromo-2-fluoro-6-methylphenyl)methanamine hydrochloride
CID 139026876
(4-Bromo-2,5-dimethylphenyl)methanamine;hydrochloride
CID 177798005
1-(Aminomethyl)-4-bromonaphthalene
CID 17999126
(6,7-Difluoro-3-methylnaphthalen-2-yl)methanamine
CID 20595122
6-Bromo-7-fluoro-3-methylnaphthalene-2-carboximidamide
CID 20595144
(6-Fluoro-3-methylnaphthalen-2-yl)methanamine
CID 20595173
(7-Bromo-6-fluoro-3-methylnaphthalen-2-yl)methanamine
CID 20595187
7-Bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide
CID 20595189
(7-Fluoro-3-methylnaphthalen-2-yl)methanamine
CID 20595197

Frequently Asked Questions

What is the IUPAC name of (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The IUPAC name of (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine (CID 20595142) is (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The canonical SMILES for (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine is Cc1cc2cc(Br)c(F)cc2cc1CN.
What is the InChIKey of (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine?
The InChIKey is JLTAAEKEAWYIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN/c1-7-2-8-4-11(13)12(14)5-9(8)3-10(7)6-15/h2-5H,6,15H2,1H3.
What are the key properties of (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine?
(6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine has a molecular weight of 268.13 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 20595142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).