(4-bromo-3-chlorophenyl)methanamine

C7H7BrClN — CID 50998128

IUPAC(4-bromo-3-chlorophenyl)methanamine
SMILESNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H7BrClN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKeyHQEHGBULSMIQAN-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.56
Rot. Bonds1

About (4-bromo-3-chlorophenyl)methanamine

(4-bromo-3-chlorophenyl)methanamine (PubChem CID 50998128) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)methanamine
PubChem CID50998128
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name(4-bromo-3-chlorophenyl)methanamine
SMILESNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C7H7BrClN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKeyHQEHGBULSMIQAN-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

4-Bromobenzylamine hydrochloride
CID 2724096
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
(3-Bromo-4-chlorophenyl)methanamine
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
6-Bromo-3-chloro-2-fluorobenzylamine
CID 83409842

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)methanamine?
The IUPAC name of (4-bromo-3-chlorophenyl)methanamine (CID 50998128) is (4-bromo-3-chlorophenyl)methanamine.
What is the SMILES notation for (4-bromo-3-chlorophenyl)methanamine?
The canonical SMILES for (4-bromo-3-chlorophenyl)methanamine is NCc1ccc(Br)c(Cl)c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)methanamine?
The InChIKey is HQEHGBULSMIQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2.
What are the key properties of (4-bromo-3-chlorophenyl)methanamine?
(4-bromo-3-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 (4-bromo-3-chlorophenyl)methanamine is sourced from PubChem (CID 50998128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).