3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride

C9H13BrClFN2 — CID 170892207

IUPAC3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
SMILESCl.NCC(N)Cc1ccc(Br)cc1F
InChIInChI=1S/C9H12BrFN2.ClH/c10-7-2-1-6(9(11)4-7)3-8(13)5-12;/h1-2,4,8H,3,5,12-13H2;1H
InChIKeyQDXIICMHQKUILT-UHFFFAOYSA-N
MW283.57 g/mol
LogP1.84
Rot. Bonds3

About 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride

3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride (PubChem CID 170892207) has the molecular formula C9H13BrClFN2 and a molecular weight of 283.57 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
PubChem CID170892207
Molecular FormulaC9H13BrClFN2
Molecular Weight283.57 g/mol
Exact Mass281.99
IUPAC Name3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
SMILESCl.NCC(N)Cc1ccc(Br)cc1F
InChIInChI=1S/C9H12BrFN2.ClH/c10-7-2-1-6(9(11)4-7)3-8(13)5-12;/h1-2,4,8H,3,5,12-13H2;1H
InChIKeyQDXIICMHQKUILT-UHFFFAOYSA-N
XLogP1.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.57
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride (CID 170892207) is 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride is Cl.NCC(N)Cc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride?
The InChIKey is QDXIICMHQKUILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2.ClH/c10-7-2-1-6(9(11)4-7)3-8(13)5-12;/h1-2,4,8H,3,5,12-13H2;1H.
What are the key properties of 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride?
3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride has a molecular weight of 283.57 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 170892207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).