(5-bromo-2-chlorophenyl)methanamine

C7H7BrClN — CID 43378979

IUPAC(5-bromo-2-chlorophenyl)methanamine
SMILESNCc1cc(Br)ccc1Cl
InChIInChI=1S/C7H7BrClN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKeyPCLLJCFJFOBGDE-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.56
Rot. Bonds1

About (5-bromo-2-chlorophenyl)methanamine

(5-bromo-2-chlorophenyl)methanamine (PubChem CID 43378979) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)methanamine
PubChem CID43378979
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name(5-bromo-2-chlorophenyl)methanamine
SMILESNCc1cc(Br)ccc1Cl
InChIInChI=1S/C7H7BrClN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKeyPCLLJCFJFOBGDE-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Bromobenzylamine hydrochloride
CID 2724980
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
(4-Bromo-3-chlorophenyl)methanamine
CID 50998128
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
3-Bromo-4-chlorobenzylamine
CID 57813392
(3-Bromo-5-chlorophenyl)methanamine
CID 58962965
(2-Bromo-5-chlorophenyl)methanamine
CID 65811418
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
5-Bromo-3-chloro-2-fluorobenzenemethanamine
CID 68283921
(3-Bromo-2-chlorophenyl)methanamine
CID 69151002
(2-Bromo-4-chlorophenyl)methanamine hydrochloride
CID 127264608

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)methanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)methanamine (CID 43378979) is (5-bromo-2-chlorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)methanamine is NCc1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)methanamine?
The InChIKey is PCLLJCFJFOBGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2.
What are the key properties of (5-bromo-2-chlorophenyl)methanamine?
(5-bromo-2-chlorophenyl)methanamine has a molecular weight of 220.50 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)methanamine is sourced from PubChem (CID 43378979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).