(2-bromo-3-methylphenyl)methanamine

C8H10BrN — CID 18960623

IUPAC(2-bromo-3-methylphenyl)methanamine
SMILESCc1cccc(CN)c1Br
InChIInChI=1S/C8H10BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,5,10H2,1H3
InChIKeyULOIPAJCWMRHIW-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.22
Rot. Bonds1

About (2-bromo-3-methylphenyl)methanamine

(2-bromo-3-methylphenyl)methanamine (PubChem CID 18960623) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)methanamine
PubChem CID18960623
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name(2-bromo-3-methylphenyl)methanamine
SMILESCc1cccc(CN)c1Br
InChIInChI=1S/C8H10BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,5,10H2,1H3
InChIKeyULOIPAJCWMRHIW-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)methanamine (CID 18960623) is (2-bromo-3-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)methanamine is Cc1cccc(CN)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)methanamine?
The InChIKey is ULOIPAJCWMRHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,5,10H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)methanamine?
(2-bromo-3-methylphenyl)methanamine has a molecular weight of 200.08 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)methanamine is sourced from PubChem (CID 18960623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).