[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine

C8H10BrFN2 — CID 53474963

IUPAC[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
SMILESNCc1cc(Br)cc(CN)c1F
InChIInChI=1S/C8H10BrFN2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-2H,3-4,11-12H2
InChIKeyPVHKOAMRFLCAGS-UHFFFAOYSA-N
MW233.08 g/mol
LogP1.51
Rot. Bonds2

About [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine

[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine (PubChem CID 53474963) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
PubChem CID53474963
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
SMILESNCc1cc(Br)cc(CN)c1F
InChIInChI=1S/C8H10BrFN2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-2H,3-4,11-12H2
InChIKeyPVHKOAMRFLCAGS-UHFFFAOYSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanamine, 3-bromo-
CID 457587
(2-Bromo-5-fluorophenyl)methanamine
CID 2773357
(4-Bromo-2-fluorophenyl)methanamine
CID 3770848
3-Bromobenzylamine hydrochloride
CID 2724980
(S)-1-(3-bromophenyl)ethanamine
CID 9952938
4-Bromo-2-fluorobenzylamine hydrochloride
CID 18468197
(R)-1-(3-bromophenyl)ethanamine
CID 22831503
2-(5-Bromo-2-fluorophenyl)ethan-1-amine
CID 18509474
4-Bromo-3-(trifluoromethyl)benzylamine
CID 45933703
5-Bromo-2-fluorobenzylamine hydrochloride
CID 2724903
2-(3-Bromo-4-fluorophenyl)ethan-1-amine
CID 18509457
[(5-Bromo-2-fluorophenyl)methyl](prop-2-en-1-yl)amine
CID 28419754

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine?
The IUPAC name of [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine (CID 53474963) is [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine?
The canonical SMILES for [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine is NCc1cc(Br)cc(CN)c1F.
What is the InChIKey of [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine?
The InChIKey is PVHKOAMRFLCAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-2H,3-4,11-12H2.
What are the key properties of [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine?
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine has a molecular weight of 233.08 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine is sourced from PubChem (CID 53474963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).