[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine

C12H13BrN2 — CID 68740341

IUPAC[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine
SMILESNCc1c(Br)cc2ccccc2c1CN
InChIInChI=1S/C12H13BrN2/c13-12-5-8-3-1-2-4-9(8)10(6-14)11(12)7-15/h1-5H,6-7,14-15H2
InChIKeyXHSRVTKALQLBIT-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.52
Rot. Bonds2

About [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine

[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine (PubChem CID 68740341) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine
PubChem CID68740341
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine
SMILESNCc1c(Br)cc2ccccc2c1CN
InChIInChI=1S/C12H13BrN2/c13-12-5-8-3-1-2-4-9(8)10(6-14)11(12)7-15/h1-5H,6-7,14-15H2
InChIKeyXHSRVTKALQLBIT-UHFFFAOYSA-N
XLogP2.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(aminomethyl)-3-bromonaphthalen-1-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

3-bromonaphthalene-1,2-diamine
CID 68737898
1-bromonaphthalene;methanamine
CID 143041720
naphtho[1,2-b]phenanthrene
CID 5889
3-bromo-2-methylnaphthalen-1-amine
CID 170568241
3-bromo-2-chlorophenanthrene
CID 166845355
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
anthracen-9-ylmethyloxidanium
CID 143222944
3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
CID 71079311
[1-(2-bromophenoxy)isoquinolin-3-yl]methanamine
CID 62298264
bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate
CID 175904411

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine?
The IUPAC name of [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine (CID 68740341) is [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine is NCc1c(Br)cc2ccccc2c1CN.
What is the InChIKey of [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine?
The InChIKey is XHSRVTKALQLBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-12-5-8-3-1-2-4-9(8)10(6-14)11(12)7-15/h1-5H,6-7,14-15H2.
What are the key properties of [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine?
[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine has a molecular weight of 265.15 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine is sourced from PubChem (CID 68740341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).