(4-bromo-2-chlorophenyl)methanamine;hydrochloride

C7H8BrCl2N — CID 53407889

IUPAC(4-bromo-2-chlorophenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(Br)cc1Cl
InChIInChI=1S/C7H7BrClN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyAXFQUSBWXQEUHN-UHFFFAOYSA-N
MW256.96 g/mol
LogP2.98
Rot. Bonds1

About (4-bromo-2-chlorophenyl)methanamine;hydrochloride

(4-bromo-2-chlorophenyl)methanamine;hydrochloride (PubChem CID 53407889) has the molecular formula C7H8BrCl2N and a molecular weight of 256.96 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)methanamine;hydrochloride
PubChem CID53407889
Molecular FormulaC7H8BrCl2N
Molecular Weight256.96 g/mol
Exact Mass254.92
IUPAC Name(4-bromo-2-chlorophenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(Br)cc1Cl
InChIInChI=1S/C7H7BrClN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyAXFQUSBWXQEUHN-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.96
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2-Chlorophenyl)methanamine hydrochloride
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((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
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(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
(4-Bromo-3-chlorophenyl)methanamine
CID 50998128
3-Bromo-4-chlorobenzylamine
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(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
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(3-Bromo-2-chlorophenyl)methanamine
CID 69151002

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)methanamine;hydrochloride?
The IUPAC name of (4-bromo-2-chlorophenyl)methanamine;hydrochloride (CID 53407889) is (4-bromo-2-chlorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-bromo-2-chlorophenyl)methanamine;hydrochloride?
The canonical SMILES for (4-bromo-2-chlorophenyl)methanamine;hydrochloride is Cl.NCc1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)methanamine;hydrochloride?
The InChIKey is AXFQUSBWXQEUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H.
What are the key properties of (4-bromo-2-chlorophenyl)methanamine;hydrochloride?
(4-bromo-2-chlorophenyl)methanamine;hydrochloride has a molecular weight of 256.96 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 53407889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).